N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide

C14H18F2N2O — CID 119585310

IUPACN-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCC(CN)N(C)C(=O)C1CC1c1cccc(F)c1F
InChIInChI=1S/C14H18F2N2O/c1-8(7-17)18(2)14(19)11-6-10(11)9-4-3-5-12(15)13(9)16/h3-5,8,10-11H,6-7,17H2,1-2H3
InChIKeyZPQVMSXZPKSPBS-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.87
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide

N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 119585310) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID119585310
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCC(CN)N(C)C(=O)C1CC1c1cccc(F)c1F
InChIInChI=1S/C14H18F2N2O/c1-8(7-17)18(2)14(19)11-6-10(11)9-4-3-5-12(15)13(9)16/h3-5,8,10-11H,6-7,17H2,1-2H3
InChIKeyZPQVMSXZPKSPBS-UHFFFAOYSA-N
XLogP1.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119582760
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119581655
4-[[(1S,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]-methylamino]butanoic acid
CID 124687540
4-[[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]-methylamino]butanoic acid
CID 124687567
2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 124703141
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 119237113
cis-(1R,2S)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124613976
trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124781032
(2S)-2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238212
2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225395
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 134054644
N-(diethylsulfamoyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 154749510

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide (CID 119585310) is N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide is CC(CN)N(C)C(=O)C1CC1c1cccc(F)c1F.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is ZPQVMSXZPKSPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-8(7-17)18(2)14(19)11-6-10(11)9-4-3-5-12(15)13(9)16/h3-5,8,10-11H,6-7,17H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 1.87, 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-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 119585310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).