2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide

C17H19ClN2O — CID 61106536

IUPAC2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1c(C)cccc1N
InChIInChI=1S/C17H19ClN2O/c1-3-20(11-13-7-5-8-14(18)10-13)17(21)16-12(2)6-4-9-15(16)19/h4-10H,3,11,19H2,1-2H3
InChIKeyZKNZHFNYVJRNHG-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.89
Rot. Bonds4

About 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide

2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide (PubChem CID 61106536) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide
PubChem CID61106536
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1c(C)cccc1N
InChIInChI=1S/C17H19ClN2O/c1-3-20(11-13-7-5-8-14(18)10-13)17(21)16-12(2)6-4-9-15(16)19/h4-10H,3,11,19H2,1-2H3
InChIKeyZKNZHFNYVJRNHG-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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

2-amino-6-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 63658797
2,4-diamino-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61105036
2-amino-N-ethyl-6-methyl-N-propylbenzamide
CID 43268247
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide
CID 107074471
3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61104847
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide
CID 61118547
N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717535
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide?
The IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide (CID 61106536) is 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide?
The canonical SMILES for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide is CCN(Cc1cccc(Cl)c1)C(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide?
The InChIKey is ZKNZHFNYVJRNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-20(11-13-7-5-8-14(18)10-13)17(21)16-12(2)6-4-9-15(16)19/h4-10H,3,11,19H2,1-2H3.
What are the key properties of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide?
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide is sourced from PubChem (CID 61106536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).