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

C13H17ClN2O — CID 113461466

IUPAC2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
SMILESCc1cc(Cl)ccc1CNCC(=O)NC1CC1
InChIInChI=1S/C13H17ClN2O/c1-9-6-11(14)3-2-10(9)7-15-8-13(17)16-12-4-5-12/h2-3,6,12,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyTYASAGVENVMFQA-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.02
Rot. Bonds5

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

2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide (PubChem CID 113461466) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
PubChem CID113461466
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
SMILESCc1cc(Cl)ccc1CNCC(=O)NC1CC1
InChIInChI=1S/C13H17ClN2O/c1-9-6-11(14)3-2-10(9)7-15-8-13(17)16-12-4-5-12/h2-3,6,12,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyTYASAGVENVMFQA-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-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 106862345
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
2-(4-chloro-2-fluorophenyl)-N-cyclopropylacetamide
CID 56920036
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952
N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
CID 78978000
N-cyclopropyl-2-[(3,4-dimethylphenyl)methylamino]acetamide
CID 43434265
2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide
CID 104854061
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
CID 114850140
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide
CID 112606428
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996571

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide (CID 113461466) is 2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide is Cc1cc(Cl)ccc1CNCC(=O)NC1CC1.
What is the InChIKey of 2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide?
The InChIKey is TYASAGVENVMFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-6-11(14)3-2-10(9)7-15-8-13(17)16-12-4-5-12/h2-3,6,12,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide?
2-[(4-chloro-2-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-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 113461466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).