Chemical ID: 4195554

COc1ccc(cc1C(=O)Nc2ccccc2C(=O)OC)Cl
Chemical ID:
4195554
Name [?]:
methyl 2-(5-chloro-2-methoxy-benzoyl)aminobenzoate
SMILES [?]:
COc1ccc(cc1C(=O)Nc2ccccc2C(=O)OC)Cl
InChi [?]:
InChI=1/C16H14ClNO4/c1-21-14-8-7-10(17)9-12(14)15(19)18-13-6-4-3-5-11(13)16(20)22-2/h3-9H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,15,14,16,13,5,4,7,6,17,8,12,3,9,18,22,11,10,19,2,20/rA:22nCOCCCCCCCONCCCCCCCOOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClNO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.46037
Area:505.459
Solvation:-4.17611
Coulombic:-48.4711
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:319.739
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.89
LogP (Chemaxon):3.57

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