N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide

C12H15ClN2O — CID 110464710

IUPACN-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESNCCNC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H15ClN2O/c13-10-3-1-2-9(8-10)12(4-5-12)11(16)15-7-6-14/h1-3,8H,4-7,14H2,(H,15,16)
InChIKeyCQULZBDPJBWWLV-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.45
Rot. Bonds4

About N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide

N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 110464710) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID110464710
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESNCCNC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H15ClN2O/c13-10-3-1-2-9(8-10)12(4-5-12)11(16)15-7-6-14/h1-3,8H,4-7,14H2,(H,15,16)
InChIKeyCQULZBDPJBWWLV-UHFFFAOYSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119547500
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
CID 107318994
5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 62032503
4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
CID 43355005
1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438164
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119639826
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672
N-(2-aminoethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119383272
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide (CID 110464710) is N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide is NCCNC(=O)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is CQULZBDPJBWWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-10-3-1-2-9(8-10)12(4-5-12)11(16)15-7-6-14/h1-3,8H,4-7,14H2,(H,15,16).
What are the key properties of N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110464710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).