3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide

C16H17ClN2O — CID 60939433

IUPAC3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)c1cccc(N)c1
InChIInChI=1S/C16H17ClN2O/c1-11(14-8-3-4-9-15(14)17)19(2)16(20)12-6-5-7-13(18)10-12/h3-11H,18H2,1-2H3
InChIKeyBXUHOQMZQFHDAB-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.76
Rot. Bonds3

About 3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide

3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide (PubChem CID 60939433) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
PubChem CID60939433
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)c1cccc(N)c1
InChIInChI=1S/C16H17ClN2O/c1-11(14-8-3-4-9-15(14)17)19(2)16(20)12-6-5-7-13(18)10-12/h3-11H,18H2,1-2H3
InChIKeyBXUHOQMZQFHDAB-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.76
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

3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 61105778
3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide
CID 62978074
3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide
CID 61105024
3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60939530
4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60948899
2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide
CID 62980696
3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide
CID 103867275
6-amino-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980332
N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide
CID 43549226
2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 60939540
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide (CID 60939433) is 3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide is CC(c1ccccc1Cl)N(C)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide?
The InChIKey is BXUHOQMZQFHDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(14-8-3-4-9-15(14)17)19(2)16(20)12-6-5-7-13(18)10-12/h3-11H,18H2,1-2H3.
What are the key properties of 3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide?
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 60939433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).