N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride

C18H26Cl2N2O — CID 119589829

IUPACN-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1(c2ccc(Cl)cc2)CC1)C1CCCCC1
InChIInChI=1S/C18H25ClN2O.ClH/c19-15-8-6-14(7-9-15)18(10-11-18)17(22)21-16(12-20)13-4-2-1-3-5-13;/h6-9,13,16H,1-5,10-12,20H2,(H,21,22);1H
InChIKeyHPHANLYTDPJDGY-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.82
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119589829) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119589829
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1(c2ccc(Cl)cc2)CC1)C1CCCCC1
InChIInChI=1S/C18H25ClN2O.ClH/c19-15-8-6-14(7-9-15)18(10-11-18)17(22)21-16(12-20)13-4-2-1-3-5-13;/h6-9,13,16H,1-5,10-12,20H2,(H,21,22);1H
InChIKeyHPHANLYTDPJDGY-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119591138
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723
N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide
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N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119617772
N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide;hydrochloride
CID 119590571
N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119589829) is N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1(c2ccc(Cl)cc2)CC1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is HPHANLYTDPJDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O.ClH/c19-15-8-6-14(7-9-15)18(10-11-18)17(22)21-16(12-20)13-4-2-1-3-5-13;/h6-9,13,16H,1-5,10-12,20H2,(H,21,22);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 357.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119589829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).