N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride

C16H24Cl2N2O — CID 119639826

IUPACN-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-3-15(18,4-2)11-19-14(20)16(8-9-16)12-6-5-7-13(17)10-12;/h5-7,10H,3-4,8-9,11,18H2,1-2H3,(H,19,20);1H
InChIKeyUSCSHFKLOXQPRK-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.43
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119639826) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119639826
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC NameN-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-3-15(18,4-2)11-19-14(20)16(8-9-16)12-6-5-7-13(17)10-12;/h5-7,10H,3-4,8-9,11,18H2,1-2H3,(H,19,20);1H
InChIKeyUSCSHFKLOXQPRK-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119642990
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919
N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119643741
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
CID 103825229
N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119547500
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-(3-chlorophenyl)-N-[2-(ethylsulfonylamino)ethyl]cyclobutane-1-carboxamide
CID 51078722
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119639826) is N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)C1(c2cccc(Cl)c2)CC1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is USCSHFKLOXQPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-3-15(18,4-2)11-19-14(20)16(8-9-16)12-6-5-7-13(17)10-12;/h5-7,10H,3-4,8-9,11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119639826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).