Chemical ID: 5195371

c1cc(ccc1C(=O)O)NC(=O)Nc2ccc(c(c2)Cl)F
Chemical ID:
5195371
Name [?]:
4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]benzoic acid
SMILES [?]:
c1cc(ccc1C(=O)O)NC(=O)Nc2ccc(c(c2)Cl)F
InChi [?]:
InChI=1/C14H10ClFN2O3/c15-11-7-10(5-6-12(11)16)18-14(21)17-9-3-1-8(2-4-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,16,19,6,3,14,18,17,7,11,20,21,10,13,8,9,12/E:(1,2)(3,4)(19,20)/rA:21nCCCCCCCOONCONCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClFN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.57351
Area:485.931
Solvation:-3.57478
Coulombic:-65.5617
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.692
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.88
LogP (Chemaxon):3.68

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