Chemical ID: 5901107

c1cc(ccc1NC(=O)CNC(=O)CCCCl)F
Chemical ID:
5901107
Name [?]:
4-chloro-N-[(4-fluorophenyl)carbamoylmethyl]butanamide
SMILES [?]:
c1cc(ccc1NC(=O)CNC(=O)CCCCl)F
InChi [?]:
InChI=1/C12H14ClFN2O2/c13-7-1-2-11(17)15-8-12(18)16-10-5-3-9(14)4-6-10/h3-6H,1-2,7-8H2,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:15,14,2,4,1,5,16,10,3,6,12,8,17,18,11,7,13,9/E:(3,4)(5,6)/rA:18nCCCCCCNCOCNCOCCCClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14ClFN2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.97106
Area:478.385
Solvation:-3.98858
Coulombic:-44.2062
Bond Count [?]
All:18
Single:13
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:272.703
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.56
LogP (Chemaxon):1.46

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