Chemical ID: 5540930

CCCC(=O)Nc1ccc(c(c1)NC(=O)CC(C)C)Cl
Chemical ID:
5540930
Name [?]:
N-(5-butanoylamino-2-chloro-phenyl)-3-methyl-butanamide
SMILES [?]:
CCCC(=O)Nc1ccc(c(c1)NC(=O)CC(C)C)Cl
InChi [?]:
InChI=1/C15H21ClN2O2/c1-4-5-14(19)17-11-6-7-12(16)13(9-11)18-15(20)8-10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,18,19,2,3,8,9,16,12,17,7,10,11,4,14,20,6,13,5,15/E:(2,3)/rA:20nCCCCONCCCCCCNCOCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;s17;s17;s10;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21ClN2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.2755
Area:517.639
Solvation:-2.66551
Coulombic:-40.6878
Bond Count [?]
All:20
Single:15
Double:5
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:296.792
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.3
LogP (Chemaxon):2.95

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