2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide

C16H17ClN2O — CID 63659319

IUPAC2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-10-6-3-4-7-12(10)11(2)19-16(20)15-13(17)8-5-9-14(15)18/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyALMJCNZHDALLIC-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.72
Rot. Bonds3

About 2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide

2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide (PubChem CID 63659319) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide
PubChem CID63659319
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-10-6-3-4-7-12(10)11(2)19-16(20)15-13(17)8-5-9-14(15)18/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyALMJCNZHDALLIC-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 61118569
2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 81394137
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide
CID 106343673
2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide
CID 63660235
5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47097917
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
4-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61118574
2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 114176666
N-[1-(2-aminophenyl)ethyl]-5-chloro-2-methylbenzamide
CID 82880208
3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47097948
3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111876
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide (CID 63659319) is 2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1C(C)NC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is ALMJCNZHDALLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-10-6-3-4-7-12(10)11(2)19-16(20)15-13(17)8-5-9-14(15)18/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide?
2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 63659319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).