Chemical ID: 5255458

CCCC(=O)NC(C)(C)Cc1ccc(cc1)Cl
Chemical ID:
5255458
Name [?]:
N-[2-(4-chlorophenyl)-1,1-dimethyl-ethyl]butanamide
SMILES [?]:
CCCC(=O)NC(C)(C)Cc1ccc(cc1)Cl
InChi [?]:
InChI=1/C14H20ClNO/c1-4-5-13(17)16-14(2,3)10-11-6-8-12(15)9-7-11/h6-9H,4-5,10H2,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,8,9,2,3,12,16,13,15,10,11,14,4,7,17,6,5/E:(2,3)(6,7)(8,9)/rA:17nCCCCONCCCCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s7;s7;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20ClNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.63765
Area:453.713
Solvation:-1.70517
Coulombic:-22.7115
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:253.767
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.9
LogP (Chemaxon):3.28

Name Annotations

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Descriptor Annotations

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