2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide

C17H19ClN2O — CID 60939540

IUPAC2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C17H19ClN2O/c1-12(15-5-3-4-6-16(15)18)20(2)17(21)11-13-7-9-14(19)10-8-13/h3-10,12H,11,19H2,1-2H3
InChIKeyVSLNITXGLKEBOR-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.68
Rot. Bonds4

About 2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide

2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide (PubChem CID 60939540) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
PubChem CID60939540
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C17H19ClN2O/c1-12(15-5-3-4-6-16(15)18)20(2)17(21)11-13-7-9-14(19)10-8-13/h3-10,12H,11,19H2,1-2H3
InChIKeyVSLNITXGLKEBOR-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 62729336
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 61043693
2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 99703947
4-[3-[1-(2-chlorophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119180616
7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride
CID 119717437
4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60948899
2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43568614
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60939433
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 104903057
3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 61117836
2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 64610155

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide (CID 60939540) is 2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide is CC(c1ccccc1Cl)N(C)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide?
The InChIKey is VSLNITXGLKEBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(15-5-3-4-6-16(15)18)20(2)17(21)11-13-7-9-14(19)10-8-13/h3-10,12H,11,19H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide?
2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide 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-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 60939540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).