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Chemical ID: 7522574
Chemical ID:
7522574
Name [?]:
N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C21H17FN2O3/c1-27-19-11-5-14(6-12-19)20(25)24-18-4-2-3-15(13-18)21(26)23-17-9-7-16(22)8-10-17/h2-13H,1H3,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,5,7,23,25,22,26,4,8,17,6,16,24,21,12,3,9,18,27,20,11,10,19,2/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCOCCCCCCCONCCCCCCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17FN2O3 |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.26359 |
Area: | 578.737 |
Solvation: | -5.20483 |
Coulombic: | -54.1517 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.04 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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