2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide

C19H23ClN2O — CID 18094062

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N(C)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O/c1-14-7-9-16(10-8-14)12-21-19(23)15(2)22(3)13-17-5-4-6-18(20)11-17/h4-11,15H,12-13H2,1-3H3,(H,21,23)
InChIKeyFVZHQUOPVWYKSP-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.79
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide

2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 18094062) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID18094062
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N(C)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O/c1-14-7-9-16(10-8-14)12-21-19(23)15(2)22(3)13-17-5-4-6-18(20)11-17/h4-11,15H,12-13H2,1-3H3,(H,21,23)
InChIKeyFVZHQUOPVWYKSP-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094165
N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide
CID 18094060
(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517313
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18093995
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 55525636
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 47145321
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide
CID 17475859
(2R)-2-[(3-chlorophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9251072
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one
CID 62031336
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 18088306
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
2-[(3-chlorophenyl)methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide
CID 133207342

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide (CID 18094062) is 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)N(C)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is FVZHQUOPVWYKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-14-7-9-16(10-8-14)12-21-19(23)15(2)22(3)13-17-5-4-6-18(20)11-17/h4-11,15H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 330.86 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 18094062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).