2-(4-chlorophenyl)-N,N,3-trimethylbutanamide

C13H18ClNO — CID 60653268

IUPAC2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
SMILESCC(C)C(C(=O)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-9(2)12(13(16)15(3)4)10-5-7-11(14)8-6-10/h5-9,12H,1-4H3
InChIKeyAZWMZNMJPVGSIU-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.17
Rot. Bonds3

About 2-(4-chlorophenyl)-N,N,3-trimethylbutanamide

2-(4-chlorophenyl)-N,N,3-trimethylbutanamide (PubChem CID 60653268) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N,3-trimethylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
PubChem CID60653268
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
SMILESCC(C)C(C(=O)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-9(2)12(13(16)15(3)4)10-5-7-11(14)8-6-10/h5-9,12H,1-4H3
InChIKeyAZWMZNMJPVGSIU-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[2-(4-chlorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 62627629
2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide
CID 60653667
azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid
CID 70402898
2-(4-chlorophenyl)-3-methylbutanethioic S-acid
CID 12774585
lithium 2-(4-chlorophenyl)-3-methylbutanoate
CID 139900387
(2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide
CID 46225340
1-chloro-4-(1,1,2-trifluoro-4-methylpent-1-en-3-yl)benzene
CID 158152787
2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 43576559
2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide
CID 43402967
2-chloro-2-(3,5-dichlorophenyl)-N,N-dimethylacetamide
CID 62225352
(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N,3-trimethylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N,N,3-trimethylbutanamide (CID 60653268) is 2-(4-chlorophenyl)-N,N,3-trimethylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N,3-trimethylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N,N,3-trimethylbutanamide is CC(C)C(C(=O)N(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N,N,3-trimethylbutanamide?
The InChIKey is AZWMZNMJPVGSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(2)12(13(16)15(3)4)10-5-7-11(14)8-6-10/h5-9,12H,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-N,N,3-trimethylbutanamide?
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide has a molecular weight of 239.75 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,N,3-trimethylbutanamide is sourced from PubChem (CID 60653268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).