N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide

C17H20F2N2O — CID 119459666

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1CC1c1cccc(F)c1F
InChIInChI=1S/C17H20F2N2O/c18-15-3-1-2-12(16(15)19)13-8-14(13)17(22)21-11-6-9-4-5-10(7-11)20-9/h1-3,9-11,13-14,20H,4-8H2,(H,21,22)
InChIKeyMMQXQLOROVZOCM-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.47
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 119459666) has the molecular formula C17H20F2N2O and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID119459666
Molecular FormulaC17H20F2N2O
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1CC1c1cccc(F)c1F
InChIInChI=1S/C17H20F2N2O/c18-15-3-1-2-12(16(15)19)13-8-14(13)17(22)21-11-6-9-4-5-10(7-11)20-9/h1-3,9-11,13-14,20H,4-8H2,(H,21,22)
InChIKeyMMQXQLOROVZOCM-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

4-[[(1R,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 125132036
trans-(1S,2S)-2-(2,3-difluorophenyl)-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97076593
trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 97076598
2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225395
3-[[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704689
(2S)-2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238212
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide
CID 61231775
1-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176592
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 119237113
2-(2,6-difluorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119451294
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134037511
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 139003868

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide (CID 119459666) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide is O=C(NC1CC2CCC(C1)N2)C1CC1c1cccc(F)c1F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is MMQXQLOROVZOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O/c18-15-3-1-2-12(16(15)19)13-8-14(13)17(22)21-11-6-9-4-5-10(7-11)20-9/h1-3,9-11,13-14,20H,4-8H2,(H,21,22).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119459666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).