3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide

C17H19ClN2O — CID 61117836

IUPAC3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccccc1Cl)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C17H19ClN2O/c1-20(12-14-4-2-3-5-16(14)18)17(21)11-8-13-6-9-15(19)10-7-13/h2-7,9-10H,8,11-12,19H2,1H3
InChIKeyACAGALJTNSFYQC-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.51
Rot. Bonds5

About 3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide

3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide (PubChem CID 61117836) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
PubChem CID61117836
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccccc1Cl)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C17H19ClN2O/c1-20(12-14-4-2-3-5-16(14)18)17(21)11-8-13-6-9-15(19)10-7-13/h2-7,9-10H,8,11-12,19H2,1H3
InChIKeyACAGALJTNSFYQC-UHFFFAOYSA-N
XLogP3.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 51276747
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
CID 119682648
2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 55328984
3-(2-amino-2-oxoethyl)sulfanyl-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 30827481
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55258212
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 78768556
3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 54905173
3-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 134049187

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide (CID 61117836) is 3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide is CN(Cc1ccccc1Cl)C(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide?
The InChIKey is ACAGALJTNSFYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(12-14-4-2-3-5-16(14)18)17(21)11-8-13-6-9-15(19)10-7-13/h2-7,9-10H,8,11-12,19H2,1H3.
What are the key properties of 3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide?
3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide has a molecular weight of 302.81 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 61117836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).