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Chemical ID: 4506590
Chemical ID:
4506590
Name [?]:
N-[3-[(2-chlorophenyl)carbamoyl]phenyl]-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C21H17ClN2O3/c1-27-17-11-9-14(10-12-17)20(25)23-16-6-4-5-15(13-16)21(26)24-19-8-3-2-7-18(19)22/h2-13H,1H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,14,15,13,25,22,5,7,4,8,17,6,16,12,3,26,21,9,18,27,11,20,10,19,2/E:(9,10)(11,12)/rA:27nCOCCCCCCCONCCCCCCCONCCCCCCCl/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17ClN2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8391 |
Area: | 598.668 |
Solvation: | -4.12757 |
Coulombic: | -52.1026 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.824 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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