Chemical ID: 4156973

Cc1ccc(cc1C)C(=O)Nc2cccc(c2)C(=O)OC
Chemical ID:
4156973
Name [?]:
methyl 3-(3,4-dimethylbenzoyl)aminobenzoate
SMILES [?]:
Cc1ccc(cc1C)C(=O)Nc2cccc(c2)C(=O)OC
InChi [?]:
InChI=1/C17H17NO3/c1-11-7-8-13(9-12(11)2)16(19)18-15-6-4-5-14(10-15)17(20)21-3/h4-10H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,21,14,15,13,3,4,6,17,2,7,5,16,12,9,18,11,10,19,20/rA:21nCCCCCCCCCONCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.69518
Area:496.788
Solvation:-2.72452
Coulombic:-42.2411
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:283.322
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.8
LogP (Chemaxon):3.58

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Descriptor Annotations

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