Chemical ID: 4501553

c1ccc(c(c1)CNC(=O)C2CC2)Cl
Chemical ID:
4501553
Name [?]:
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
SMILES [?]:
c1ccc(c(c1)CNC(=O)C2CC2)Cl
InChi [?]:
InChI=1/C11H12ClNO/c12-10-4-2-1-3-9(10)7-13-11(14)8-5-6-8/h1-4,8H,5-7H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,13,7,11,5,4,9,14,8,10/E:(5,6)/rA:14nCCCCCCCNCOCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s11s12;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12ClNO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.09743
Area:391.877
Solvation:-1.69949
Coulombic:-22.4887
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.672
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.25
LogP (Chemaxon):2.2

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue