Chemical ID: 5146153

Cc1ccc(cc1NC(=O)C)NC(=O)C(C)Cl
Chemical ID:
5146153
Name [?]:
N-(3-acetamido-4-methyl-phenyl)-2-chloro-propanamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C)NC(=O)C(C)Cl
InChi [?]:
InChI=1/C12H15ClN2O2/c1-7-4-5-10(15-12(17)8(2)13)6-11(7)14-9(3)16/h4-6,8H,1-3H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,16,11,3,4,6,2,15,9,5,7,13,17,8,12,10,14/rA:17cCCCCCCCNCOCNCOCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s5;s12;d13;s13;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15ClN2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.007
Area:446.932
Solvation:-3.16629
Coulombic:-39.4819
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:254.712
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.29
LogP (Chemaxon):1.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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