N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide

C13H17ClN2O — CID 113218812

IUPACN-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1ccccc1Cl)C1CC1
InChIInChI=1S/C13H17ClN2O/c14-12-4-2-1-3-11(12)9-15-7-8-16-13(17)10-5-6-10/h1-4,10,15H,5-9H2,(H,16,17)
InChIKeyXSAWVVARUGELIR-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.96
Rot. Bonds6

About N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 113218812) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID113218812
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1ccccc1Cl)C1CC1
InChIInChI=1S/C13H17ClN2O/c14-12-4-2-1-3-11(12)9-15-7-8-16-13(17)10-5-6-10/h1-4,10,15H,5-9H2,(H,16,17)
InChIKeyXSAWVVARUGELIR-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[2-[(4-bromo-2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115598225
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148482
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
N-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115641192
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
N-[2-[[N'-[2-(2-chlorophenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111882269
N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115602924

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide (CID 113218812) is N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide is O=C(NCCNCc1ccccc1Cl)C1CC1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is XSAWVVARUGELIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-4-2-1-3-11(12)9-15-7-8-16-13(17)10-5-6-10/h1-4,10,15H,5-9H2,(H,16,17).
What are the key properties of N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 252.74 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113218812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).