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

C17H19ClN2O — CID 106591019

IUPAC2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccccc1Cl)c1cccc(N)c1
InChIInChI=1S/C17H19ClN2O/c1-12(13-7-5-8-15(19)10-13)17(21)20(2)11-14-6-3-4-9-16(14)18/h3-10,12H,11,19H2,1-2H3
InChIKeyGOEWUMAMBOQGHI-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.68
Rot. Bonds4

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

2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide (PubChem CID 106591019) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
PubChem CID106591019
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccccc1Cl)c1cccc(N)c1
InChIInChI=1S/C17H19ClN2O/c1-12(13-7-5-8-15(19)10-13)17(21)20(2)11-14-6-3-4-9-16(14)18/h3-10,12H,11,19H2,1-2H3
InChIKeyGOEWUMAMBOQGHI-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
CID 106591692
2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 106591084
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78768741
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
CID 106590925
3-[1-[(3-chloro-2-fluorophenyl)methyl-methylamino]ethyl]aniline
CID 102856240
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
CID 106590965
N-[(2-chlorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76925096
2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 106590813
2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
CID 54869039

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide (CID 106591019) is 2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide is CC(C(=O)N(C)Cc1ccccc1Cl)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide?
The InChIKey is GOEWUMAMBOQGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(13-7-5-8-15(19)10-13)17(21)20(2)11-14-6-3-4-9-16(14)18/h3-10,12H,11,19H2,1-2H3.
What are the key properties of 2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide?
2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide has a molecular weight of 302.81 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 106591019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).