Chemical ID: 4725111

CC(C(=O)O)N(c1ccc(c(c1)Cl)F)C(=O)c2ccccc2
Chemical ID:
4725111
Name [?]:
2-[benzoyl-(3-chloro-4-fluoro-phenyl)-amino]propanoic acid
SMILES [?]:
CC(C(=O)O)N(c1ccc(c(c1)Cl)F)C(=O)c2ccccc2
InChi [?]:
InChI=1/C16H13ClFNO3/c1-10(16(21)22)19(12-7-8-14(18)13(17)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,8,9,12,2,17,7,11,10,15,3,13,14,6,16,4,5/E:(3,4)(5,6)(21,22)/rA:22cCCCOONCCCCCCClFCOCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s11;s10;s6;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClFNO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.06486
Area:471.74
Solvation:-3.72865
Coulombic:-49.2266
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.73
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.83
LogP (Chemaxon):3.61

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