2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide

C13H17ClN2O — CID 119501592

IUPAC2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
SMILESCNCCNC(=O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-15-5-6-16-13(17)12-8-11(12)9-3-2-4-10(14)7-9/h2-4,7,11-12,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyUDEZBDVIPJHEQF-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.78
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide (PubChem CID 119501592) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
PubChem CID119501592
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
SMILESCNCCNC(=O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-15-5-6-16-13(17)12-8-11(12)9-3-2-4-10(14)7-9/h2-4,7,11-12,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyUDEZBDVIPJHEQF-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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

2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119506444
2-(3-chlorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120829453
2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119503198
cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 95055116
N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119500317
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
2-(3-chlorophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 49157849
2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119429856
2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide
CID 86873659
2-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119433012
cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 95050916

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide (CID 119501592) is 2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide is CNCCNC(=O)C1CC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide?
The InChIKey is UDEZBDVIPJHEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-15-5-6-16-13(17)12-8-11(12)9-3-2-4-10(14)7-9/h2-4,7,11-12,15H,5-6,8H2,1H3,(H,16,17).
What are the key properties of 2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide?
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119501592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).