2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide

C13H17ClN2O — CID 43226371

IUPAC2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H17ClN2O/c1-15-12(17)8-16-13(9-2-3-9)10-4-6-11(14)7-5-10/h4-7,9,13,16H,2-3,8H2,1H3,(H,15,17)
InChIKeyWYEOVPKMZMAJJN-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.13
Rot. Bonds5

About 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide

2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide (PubChem CID 43226371) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
PubChem CID43226371
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H17ClN2O/c1-15-12(17)8-16-13(9-2-3-9)10-4-6-11(14)7-5-10/h4-7,9,13,16H,2-3,8H2,1H3,(H,15,17)
InChIKeyWYEOVPKMZMAJJN-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
CID 60712191
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112801601
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 112841277
N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide
CID 115605327
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552053
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 97333993
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methylhexan-1-amine
CID 115324976
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904
N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 115356216

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide (CID 43226371) is 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide is CNC(=O)CNC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide?
The InChIKey is WYEOVPKMZMAJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-15-12(17)8-16-13(9-2-3-9)10-4-6-11(14)7-5-10/h4-7,9,13,16H,2-3,8H2,1H3,(H,15,17).
What are the key properties of 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide?
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide has a molecular weight of 252.75 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide is sourced from PubChem (CID 43226371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).