1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide

C19H25FN2O — CID 75374478

IUPAC1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)C1(c3ccccc3F)CC1)C2
InChIInChI=1S/C19H25FN2O/c1-22-14-5-4-6-15(22)12-13(11-14)21-18(23)19(9-10-19)16-7-2-3-8-17(16)20/h2-3,7-8,13-15H,4-6,9-12H2,1H3,(H,21,23)
InChIKeyPUJITQQMGNRVDU-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.99
Rot. Bonds3

About 1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide (PubChem CID 75374478) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
PubChem CID75374478
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)C1(c3ccccc3F)CC1)C2
InChIInChI=1S/C19H25FN2O/c1-22-14-5-4-6-15(22)12-13(11-14)21-18(23)19(9-10-19)16-7-2-3-8-17(16)20/h2-3,7-8,13-15H,4-6,9-12H2,1H3,(H,21,23)
InChIKeyPUJITQQMGNRVDU-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
CID 71926291
N-cyclopropyl-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 53016800
N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110437552
1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 47908630
N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 139020107
2-(2-fluorophenyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 11888542
1-(2-fluorophenyl)-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]cyclopropane-1-carboxamide
CID 91785443
1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide
CID 91762806
1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopentane-1-carboxamide
CID 65472189
1-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 100643274
1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide
CID 65472005
2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide
CID 65471032

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide (CID 75374478) is 1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide is CN1C2CCCC1CC(NC(=O)C1(c3ccccc3F)CC1)C2.
What is the InChIKey of 1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide?
The InChIKey is PUJITQQMGNRVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-22-14-5-4-6-15(22)12-13(11-14)21-18(23)19(9-10-19)16-7-2-3-8-17(16)20/h2-3,7-8,13-15H,4-6,9-12H2,1H3,(H,21,23).
What are the key properties of 1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide has a molecular weight of 316.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 75374478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).