N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride

C18H20Cl2N2O — CID 119547500

IUPACN-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)C2(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H19ClN2O.ClH/c19-15-3-1-2-14(12-15)18(9-10-18)17(22)21-11-8-13-4-6-16(20)7-5-13;/h1-7,12H,8-11,20H2,(H,21,22);1H
InChIKeyPMNJPVSLDMYSHL-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.73
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119547500) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119547500
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC NameN-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)C2(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H19ClN2O.ClH/c19-15-3-1-2-14(12-15)18(9-10-18)17(22)21-11-8-13-4-6-16(20)7-5-13;/h1-7,12H,8-11,20H2,(H,21,22);1H
InChIKeyPMNJPVSLDMYSHL-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-1-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548478
N-[2-(4-aminophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119549712
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119547553
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119548194
1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 115913331
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
1-(3-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclobutane-1-carboxamide
CID 86950652
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119639826
1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 110438172
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119547500) is N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride is Cl.Nc1ccc(CCNC(=O)C2(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is PMNJPVSLDMYSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O.ClH/c19-15-3-1-2-14(12-15)18(9-10-18)17(22)21-11-8-13-4-6-16(20)7-5-13;/h1-7,12H,8-11,20H2,(H,21,22);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 351.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119547500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).