cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide

C19H24F2N2O — CID 98848072

IUPACcis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide
SMILESCN1[C@H]2CCC[C@H]1CC(NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)C2
InChIInChI=1S/C19H24F2N2O/c1-23-13-3-2-4-14(23)9-12(8-13)22-19(24)17-10-16(17)15-6-5-11(20)7-18(15)21/h5-7,12-14,16-17H,2-4,8-10H2,1H3,(H,22,24)/t13-,14-,16-,17-/m0/s1
InChIKeyARUQPQOFDNAWGU-OTRWWLKZSA-N
MW334.41 g/mol
LogP3.20
Rot. Bonds3

About cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide (PubChem CID 98848072) has the molecular formula C19H24F2N2O and a molecular weight of 334.41 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide
PubChem CID98848072
Molecular FormulaC19H24F2N2O
Molecular Weight334.41 g/mol
Exact Mass334.19
IUPAC Namecis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide
SMILESCN1[C@H]2CCC[C@H]1CC(NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)C2
InChIInChI=1S/C19H24F2N2O/c1-23-13-3-2-4-14(23)9-12(8-13)22-19(24)17-10-16(17)15-6-5-11(20)7-18(15)21/h5-7,12-14,16-17H,2-4,8-10H2,1H3,(H,22,24)/t13-,14-,16-,17-/m0/s1
InChIKeyARUQPQOFDNAWGU-OTRWWLKZSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678040
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 6928627
2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120555147
4-bromo-3-fluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65472784
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 119570795
1-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 98848171
2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498
4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470275
1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
CID 71926291
2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 111433991
cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97213304

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide (CID 98848072) is cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide is CN1[C@H]2CCC[C@H]1CC(NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)C2.
What is the InChIKey of cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is ARUQPQOFDNAWGU-OTRWWLKZSA-N. The full InChI is InChI=1S/C19H24F2N2O/c1-23-13-3-2-4-14(23)9-12(8-13)22-19(24)17-10-16(17)15-6-5-11(20)7-18(15)21/h5-7,12-14,16-17H,2-4,8-10H2,1H3,(H,22,24)/t13-,14-,16-,17-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 98848072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).