3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide

C17H19ClN2O — CID 882844

IUPAC3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyAVQXSVWNHJNMRC-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.80
Rot. Bonds6

About 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide

3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide (PubChem CID 882844) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
PubChem CID882844
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyAVQXSVWNHJNMRC-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
N-(4-chlorophenyl)-3-[methyl(3-phenylpropyl)amino]propanamide
CID 55850747
3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride
CID 90483527
3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid
CID 171154533
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate
CID 24836409
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
1-[3-[benzyl(methyl)amino]propyl]-3-(4-chlorophenyl)urea
CID 46647437
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 109020666

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide (CID 882844) is 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide is CN(CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide?
The InChIKey is AVQXSVWNHJNMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide?
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide has a molecular weight of 302.81 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 882844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).