2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide

C13H17ClN2O — CID 106862345

IUPAC2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide
SMILESCc1ccc(CNCC(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9-2-3-10(12(14)6-9)7-15-8-13(17)16-11-4-5-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyWYMUHEBQXPKQBZ-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.02
Rot. Bonds5

About 2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide

2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide (PubChem CID 106862345) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide
PubChem CID106862345
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide
SMILESCc1ccc(CNCC(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9-2-3-10(12(14)6-9)7-15-8-13(17)16-11-4-5-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyWYMUHEBQXPKQBZ-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 113461466
2-[(2-chloro-4-methylphenyl)methylamino]acetic acid
CID 106865112
N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide
CID 43434263
N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
CID 78978000
2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide
CID 106863102
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
N-cyclopropyl-2-[(3,4-dimethylphenyl)methylamino]acetamide
CID 43434265
2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110769934
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide
CID 103581537
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide (CID 106862345) is 2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide is Cc1ccc(CNCC(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide?
The InChIKey is WYMUHEBQXPKQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-2-3-10(12(14)6-9)7-15-8-13(17)16-11-4-5-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide?
2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide has a molecular weight of 252.74 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 106862345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).