Chemical ID: 6157537

CCC(CC)C(=O)Nc1cccc(c1)Cl
Chemical ID:
6157537
Name [?]:
N-(3-chlorophenyl)-2-ethyl-butanamide
SMILES [?]:
CCC(CC)C(=O)Nc1cccc(c1)Cl
InChi [?]:
InChI=1/C12H16ClNO/c1-3-9(4-2)12(15)14-11-7-5-6-10(13)8-11/h5-9H,3-4H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,12,10,14,3,13,9,6,15,8,7/E:(1,2)(3,4)/rA:15nCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.80435
Area:414.3
Solvation:-1.55314
Coulombic:-22.2822
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:225.714
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.58
LogP (Chemaxon):3.87

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Descriptor Annotations

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