N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride

C16H24ClFN2O — CID 119643741

IUPACN-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1(c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-3-15(18,4-2)11-19-14(20)16(9-10-16)12-5-7-13(17)8-6-12;/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,20);1H
InChIKeyUMOZDLOQLYAMJX-UHFFFAOYSA-N
MW314.83 g/mol
LogP2.91
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119643741) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119643741
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC NameN-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1(c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-3-15(18,4-2)11-19-14(20)16(9-10-16)12-5-7-13(17)8-6-12;/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,20);1H
InChIKeyUMOZDLOQLYAMJX-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.91
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-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119639826
1-(4-fluorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)cyclopropane-1-carboxamide
CID 111484002
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 103840217
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250298
N-(2-aminoethyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119384814
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
CID 111337686
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
CID 82726303

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119643741) is N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)C1(c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is UMOZDLOQLYAMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-3-15(18,4-2)11-19-14(20)16(9-10-16)12-5-7-13(17)8-6-12;/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 2.91, 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-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119643741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).