N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide

C17H19ClN2O — CID 43692106

IUPACN-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1NCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-13(21)20(2)12-15-7-3-4-9-17(15)19-11-14-6-5-8-16(18)10-14/h3-10,19H,11-12H2,1-2H3
InChIKeyVGPLNZIAWJFECM-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.93
Rot. Bonds5

About N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide

N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide (PubChem CID 43692106) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
PubChem CID43692106
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1NCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-13(21)20(2)12-15-7-3-4-9-17(15)19-11-14-6-5-8-16(18)10-14/h3-10,19H,11-12H2,1-2H3
InChIKeyVGPLNZIAWJFECM-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide
CID 66409381
N-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 62345794
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071
N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43692092
2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
CID 43435902
2-(3-chlorophenyl)-N-[2-(dimethylamino)phenyl]acetamide
CID 53384824
N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide
CID 116500960
4-chloro-3-[(3-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738770
N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide
CID 91452440
2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline
CID 43750090
N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
CID 54920225
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide (CID 43692106) is N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccccc1NCc1cccc(Cl)c1.
What is the InChIKey of N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide?
The InChIKey is VGPLNZIAWJFECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13(21)20(2)12-15-7-3-4-9-17(15)19-11-14-6-5-8-16(18)10-14/h3-10,19H,11-12H2,1-2H3.
What are the key properties of N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide?
N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide has a molecular weight of 302.81 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 43692106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).