N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride

C14H19ClF2N2O — CID 119582760

IUPACN-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)C1CC1c1c(F)cccc1F.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-8(7-17)18(2)14(19)10-6-9(10)13-11(15)4-3-5-12(13)16;/h3-5,8-10H,6-7,17H2,1-2H3;1H
InChIKeyBPSGONHIBASWQT-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.30
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119582760) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119582760
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC NameN-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)C1CC1c1c(F)cccc1F.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-8(7-17)18(2)14(19)10-6-9(10)13-11(15)4-3-5-12(13)16;/h3-5,8-10H,6-7,17H2,1-2H3;1H
InChIKeyBPSGONHIBASWQT-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 119585310
N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119586711
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119581655
trans-(1R,2R)-N-butylsulfonyl-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 97027647
2-[[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 124685331
N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119569950
N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 119656481
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333
N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119641296
N-(2-amino-1-cyclohexylethyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119590223
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119584220
2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188244

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride (CID 119582760) is N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride is CC(CN)N(C)C(=O)C1CC1c1c(F)cccc1F.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is BPSGONHIBASWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c1-8(7-17)18(2)14(19)10-6-9(10)13-11(15)4-3-5-12(13)16;/h3-5,8-10H,6-7,17H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119582760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).