N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

C14H19ClF2N2O — CID 119997140

IUPACN-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)C1CC1c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-8(6-17)7-18-14(19)11-5-10(11)9-2-3-12(15)13(16)4-9;/h2-4,8,10-11H,5-7,17H2,1H3,(H,18,19);1H
InChIKeyLZGOOXAIVRHMCS-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.20
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119997140) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119997140
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC NameN-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)C1CC1c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-8(6-17)7-18-14(19)11-5-10(11)9-2-3-12(15)13(16)4-9;/h2-4,8,10-11H,5-7,17H2,1H3,(H,18,19);1H
InChIKeyLZGOOXAIVRHMCS-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120831796
2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide
CID 120831797
N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119998352
2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119503198
2-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119433012
N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 119667750
(2S)-2-[[2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695218
4-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119352986
N-[1-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 86813826
trans-(1S,2S)-2-(3,4-difluorophenyl)-N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 99805849
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120600418

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119997140) is N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is CC(CN)CNC(=O)C1CC1c1ccc(F)c(F)c1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is LZGOOXAIVRHMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c1-8(6-17)7-18-14(19)11-5-10(11)9-2-3-12(15)13(16)4-9;/h2-4,8,10-11H,5-7,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119997140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).