N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

C16H23ClF2N2O — CID 119586711

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CC1c1c(F)cccc1F.Cl
InChIInChI=1S/C16H22F2N2O.ClH/c1-9(2)6-10(8-19)20-16(21)12-7-11(12)15-13(17)4-3-5-14(15)18;/h3-5,9-12H,6-8,19H2,1-2H3,(H,20,21);1H
InChIKeyDXARCTDRQBLAFM-UHFFFAOYSA-N
MW332.82 g/mol
LogP2.98
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119586711) has the molecular formula C16H23ClF2N2O and a molecular weight of 332.82 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119586711
Molecular FormulaC16H23ClF2N2O
Molecular Weight332.82 g/mol
Exact Mass332.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CC1c1c(F)cccc1F.Cl
InChIInChI=1S/C16H22F2N2O.ClH/c1-9(2)6-10(8-19)20-16(21)12-7-11(12)15-13(17)4-3-5-14(15)18;/h3-5,9-12H,6-8,19H2,1-2H3,(H,20,21);1H
InChIKeyDXARCTDRQBLAFM-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188244
2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253082
N-(2-amino-1-cyclohexylethyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119590223
N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119582760
N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119569950
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride
CID 119587216
2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119431264
N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119641296
3-[[(1S,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704672
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide
CID 81461199
N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548350
trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide
CID 124840506

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119586711) is N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)C1CC1c1c(F)cccc1F.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is DXARCTDRQBLAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O.ClH/c1-9(2)6-10(8-19)20-16(21)12-7-11(12)15-13(17)4-3-5-14(15)18;/h3-5,9-12H,6-8,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 332.82 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119586711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).