2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide

C19H23ClN2O — CID 46801717

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)N(C)Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H23ClN2O/c1-14(16-9-5-4-6-10-16)21-19(23)15(2)22(3)13-17-11-7-8-12-18(17)20/h4-12,14-15H,13H2,1-3H3,(H,21,23)
InChIKeyQPPXSYAJBQZKBF-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.04
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide

2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide (PubChem CID 46801717) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
PubChem CID46801717
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)N(C)Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H23ClN2O/c1-14(16-9-5-4-6-10-16)21-19(23)15(2)22(3)13-17-11-7-8-12-18(17)20/h4-12,14-15H,13H2,1-3H3,(H,21,23)
InChIKeyQPPXSYAJBQZKBF-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 42911455
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 42913829
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide
CID 94150043
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid
CID 61416812
(2R)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[(1R)-1-phenylethyl]propanamide
CID 98775522
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 133201701
2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 46678627
3-[(2-chlorophenyl)methyl-methylamino]-4,4,4-trifluorobutanoic acid
CID 63074913
(2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 32727461
N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 55542481

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide (CID 46801717) is 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide is CC(NC(=O)C(C)N(C)Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide?
The InChIKey is QPPXSYAJBQZKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-14(16-9-5-4-6-10-16)21-19(23)15(2)22(3)13-17-11-7-8-12-18(17)20/h4-12,14-15H,13H2,1-3H3,(H,21,23).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide?
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide has a molecular weight of 330.86 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 46801717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).