Chemical ID: 5033691

c1ccc(cc1)C(C(=O)Nc2ccc(cc2)C(=O)O)Cl
Chemical ID:
5033691
Name [?]:
4-(2-chloro-2-phenyl-acetyl)aminobenzoic acid
SMILES [?]:
c1ccc(cc1)C(C(=O)Nc2ccc(cc2)C(=O)O)Cl
InChi [?]:
InChI=1/C15H12ClNO3/c16-13(10-4-2-1-3-5-10)14(18)17-12-8-6-11(7-9-12)15(19)20/h1-9,13H,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,15,12,16,4,14,11,7,8,17,20,10,9,18,19/E:(2,3)(4,5)(6,7)(8,9)(19,20)/rA:20cCCCCCCCCONCCCCCCCOOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s7;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClNO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.96752
Area:483.632
Solvation:-3.12328
Coulombic:-50.399
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.713
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.62
LogP (Chemaxon):3.45

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