Chemical ID: 5901115

CC(C)(CCl)C(=O)NCC(=O)Nc1ccc(cc1)F
Chemical ID:
5901115
Name [?]:
3-chloro-N-[(4-fluorophenyl)carbamoylmethyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(CCl)C(=O)NCC(=O)Nc1ccc(cc1)F
InChi [?]:
InChI=1/C13H16ClFN2O2/c1-13(2,8-14)12(19)16-7-11(18)17-10-5-3-9(15)4-6-10/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,15,17,14,18,9,4,16,13,10,6,2,5,19,8,12,11,7/E:(1,2)(3,4)(5,6)/rA:19nCCCCClCONCCONCCCCCCF/rB:s1;s2;s2;s4;s2;d6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16ClFN2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.48094
Area:477.243
Solvation:-3.45013
Coulombic:-45.6503
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:286.73
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.7
LogP (Chemaxon):2.44

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