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Chemical ID: 5096433
Chemical ID:
5096433
Name [?]:
N-[3-(3-chlorobenzoyl)aminophenyl]-5-(4-nitrophenyl)-furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)Nc2cccc(c2)NC(=O)c3ccc(o3)c4ccc(cc4)[N+](=O)[O-]
InChi [?]:
InChI=1/C24H16ClN3O5/c25-17-4-1-3-16(13-17)23(29)26-18-5-2-6-19(14-18)27-24(30)22-12-11-21(33-22)15-7-9-20(10-8-15)28(31)32/h1-14H,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,13,2,6,12,14,26,30,27,29,22,21,4,16,25,3,5,11,15,28,23,20,8,18,7,10,17,31,9,19,32,33,24/E:(7,8)(9,10)(31,32)/CRV:28.5/rA:33nCCCCCCClCONCCCCCCNCOCCCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;d20;s21;d22;s20s23;s23;s25;d26;s27;d28;d25s29;s28;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H16ClN3O5 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8451 |
Area: | 710.91 |
Solvation: | -8.92766 |
Coulombic: | -65.062 |
Bond Count [?]
All: | 36 |
Single: | 22 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 461.854 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 5.01 |
LogP (Chemaxon): | 5.03 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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