N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride

C17H25ClF2N2O — CID 119658836

IUPACN-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1CC1c1cc(F)ccc1F.Cl
InChIInChI=1S/C17H24F2N2O.ClH/c1-10(2)16(20)6-7-21(3)17(22)14-9-12(14)13-8-11(18)4-5-15(13)19;/h4-5,8,10,12,14,16H,6-7,9,20H2,1-3H3;1H
InChIKeyLDNKKSMZDAUBIT-UHFFFAOYSA-N
MW346.85 g/mol
LogP3.32
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119658836) has the molecular formula C17H25ClF2N2O and a molecular weight of 346.85 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119658836
Molecular FormulaC17H25ClF2N2O
Molecular Weight346.85 g/mol
Exact Mass346.16
IUPAC NameN-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1CC1c1cc(F)ccc1F.Cl
InChIInChI=1S/C17H24F2N2O.ClH/c1-10(2)16(20)6-7-21(3)17(22)14-9-12(14)13-8-11(18)4-5-15(13)19;/h4-5,8,10,12,14,16H,6-7,9,20H2,1-3H3;1H
InChIKeyLDNKKSMZDAUBIT-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.85
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 119661456
2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 126784599
N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 119654154
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide
CID 111695531
cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 99849762
2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193256
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-5-fluoro-N-methyl-2-nitrobenzamide;hydrochloride
CID 119659936

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride (CID 119658836) is N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)C1CC1c1cc(F)ccc1F.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is LDNKKSMZDAUBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O.ClH/c1-10(2)16(20)6-7-21(3)17(22)14-9-12(14)13-8-11(18)4-5-15(13)19;/h4-5,8,10,12,14,16H,6-7,9,20H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 346.85 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119658836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).