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

C17H19ClN2O — CID 60940145

IUPAC2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C17H19ClN2O/c1-2-20(12-14-4-3-5-15(18)10-14)17(21)11-13-6-8-16(19)9-7-13/h3-10H,2,11-12,19H2,1H3
InChIKeyDYLLXQVZESJPIJ-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.51
Rot. Bonds5

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

2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide (PubChem CID 60940145) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
PubChem CID60940145
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C17H19ClN2O/c1-2-20(12-14-4-3-5-15(18)10-14)17(21)11-13-6-8-16(19)9-7-13/h3-10H,2,11-12,19H2,1H3
InChIKeyDYLLXQVZESJPIJ-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-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
2,4-diamino-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61105036
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide
CID 55121332
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide
CID 107074471
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 64684681
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119289151
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide
CID 54871025

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide (CID 60940145) is 2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide is CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide?
The InChIKey is DYLLXQVZESJPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-2-20(12-14-4-3-5-15(18)10-14)17(21)11-13-6-8-16(19)9-7-13/h3-10H,2,11-12,19H2,1H3.
What are the key properties of 2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide?
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide 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 2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide is sourced from PubChem (CID 60940145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).