2-(4-chlorophenyl)-N,N,2-trimethylpropanamide

C12H16ClNO — CID 71939020

IUPAC2-(4-chlorophenyl)-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-12(2,11(15)14(3)4)9-5-7-10(13)8-6-9/h5-8H,1-4H3
InChIKeyDODPXSBOELHNDM-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.71
Rot. Bonds2

About 2-(4-chlorophenyl)-N,N,2-trimethylpropanamide

2-(4-chlorophenyl)-N,N,2-trimethylpropanamide (PubChem CID 71939020) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N,2-trimethylpropanamide
PubChem CID71939020
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-(4-chlorophenyl)-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-12(2,11(15)14(3)4)9-5-7-10(13)8-6-9/h5-8H,1-4H3
InChIKeyDODPXSBOELHNDM-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid
CID 110466167
2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055
3-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]propanoic acid
CID 119233245
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide
CID 90843045
2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 141041521
2-(4-chlorophenyl)-N,2-dihydroxy-N-methylpropanamide
CID 14787850
(Z)-4-(4-chlorophenyl)-1-(dimethylamino)-4-methylpent-1-en-3-one
CID 68631125
2-(2,4-dichlorophenyl)-N,N,2-trimethylpropanamide
CID 110487685
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
CID 51887906
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(4-chlorophenyl)-N,2-dimethylpropanamide
CID 55870773
2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119549893

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N,2-trimethylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N,N,2-trimethylpropanamide (CID 71939020) is 2-(4-chlorophenyl)-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N,N,2-trimethylpropanamide is CN(C)C(=O)C(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N,N,2-trimethylpropanamide?
The InChIKey is DODPXSBOELHNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-12(2,11(15)14(3)4)9-5-7-10(13)8-6-9/h5-8H,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-N,N,2-trimethylpropanamide?
2-(4-chlorophenyl)-N,N,2-trimethylpropanamide has a molecular weight of 225.72 g/mol, XLogP of 2.71, 2 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,2-trimethylpropanamide is sourced from PubChem (CID 71939020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).