N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide

C13H19ClN2O — CID 71847666

IUPACN-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
SMILESCN(C)C(C)(C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-13(2,16(3)4)12(17)15-9-10-7-5-6-8-11(10)14/h5-8H,9H2,1-4H3,(H,15,17)
InChIKeyGRUUCQWMSRFNJY-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.30
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide

N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide (PubChem CID 71847666) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
PubChem CID71847666
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
SMILESCN(C)C(C)(C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-13(2,16(3)4)12(17)15-9-10-7-5-6-8-11(10)14/h5-8H,9H2,1-4H3,(H,15,17)
InChIKeyGRUUCQWMSRFNJY-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820582
N-butyl-N'-[(2-chlorophenyl)methyl]-N,2,2-trimethylpropanediamide
CID 108962687
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide
CID 108962686
N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959459
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
N-[(2-chlorophenyl)methyl]-3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108961025
N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide
CID 59778496
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821190
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767
N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962718
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide (CID 71847666) is N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide is CN(C)C(C)(C)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide?
The InChIKey is GRUUCQWMSRFNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2,16(3)4)12(17)15-9-10-7-5-6-8-11(10)14/h5-8H,9H2,1-4H3,(H,15,17).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide?
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide has a molecular weight of 254.76 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide is sourced from PubChem (CID 71847666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).