Chemical ID: 6675230

CCCC(=O)N(C)C(=O)Nc1ccc(cc1)Cl
Chemical ID:
6675230
Name [?]:
N-[(4-chlorophenyl)carbamoyl]-N-methyl-butanamide
SMILES [?]:
CCCC(=O)N(C)C(=O)Nc1ccc(cc1)Cl
InChi [?]:
InChI=1/C12H15ClN2O2/c1-3-4-11(16)15(2)12(17)14-10-7-5-9(13)6-8-10/h5-8H,3-4H2,1-2H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,7,2,3,13,15,12,16,14,11,4,8,17,10,6,5,9/E:(5,6)(7,8)/rA:17nCCCCONCCONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15ClN2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.73604
Area:446.501
Solvation:-3.42648
Coulombic:-37.8453
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:254.712
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.38
LogP (Chemaxon):2.89

Name Annotations

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Descriptor Annotations

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