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Chemical ID: 7484874
Chemical ID:
7484874
Name [?]:
4-chloro-N-[2-(2-furylmethylcarbamoyl)phenyl]-3-nitro-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCc2ccco2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C19H14ClN3O5/c20-15-8-7-12(10-17(15)23(26)27)18(24)22-16-6-2-1-5-14(16)19(25)21-11-13-4-3-9-28-13/h1-10H,11H2,(H,21,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,6,3,20,21,14,24,10,19,11,5,22,4,23,17,7,28,9,16,25,18,8,26,27,15/E:(26,27)/CRV:23.5/rA:28nCCCCCCCONCCCCCONCOCCCCCCN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;s11s14;s4;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;d25;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClN3O5 |
All Atoms: | 42 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.8442 |
Area: | 608.906 |
Solvation: | -9.37844 |
Coulombic: | -60.7332 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 399.784 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.63 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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