N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide

C19H25FN2O — CID 43813930

IUPACN-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CC2CCCC(C1)N2Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H25FN2O/c20-15-8-4-13(5-9-15)12-22-17-2-1-3-18(22)11-16(10-17)21-19(23)14-6-7-14/h4-5,8-9,14,16-18H,1-3,6-7,10-12H2,(H,21,23)
InChIKeyXAMRJAYDQDMHJA-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.24
Rot. Bonds4

About N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide

N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide (PubChem CID 43813930) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
PubChem CID43813930
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC NameN-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CC2CCCC(C1)N2Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H25FN2O/c20-15-8-4-13(5-9-15)12-22-17-2-1-3-18(22)11-16(10-17)21-19(23)14-6-7-14/h4-5,8-9,14,16-18H,1-3,6-7,10-12H2,(H,21,23)
InChIKeyXAMRJAYDQDMHJA-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 68822844
1-benzyl-3-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 3217267
N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide
CID 98110207
1-(2,6-dimethylphenyl)-3-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 43813919
N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-nitrobenzamide
CID 98110213
1-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 3217270
N-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
CID 3218195
3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide
CID 119886001
1-[(1S,5S)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-(4-methylphenyl)thiourea
CID 98110191
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 25383408
1-(2,4-difluorophenyl)-3-[(1R,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1467044
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 70122183

Frequently Asked Questions

What is the IUPAC name of N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide (CID 43813930) is N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide is O=C(NC1CC2CCCC(C1)N2Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide?
The InChIKey is XAMRJAYDQDMHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c20-15-8-4-13(5-9-15)12-22-17-2-1-3-18(22)11-16(10-17)21-19(23)14-6-7-14/h4-5,8-9,14,16-18H,1-3,6-7,10-12H2,(H,21,23).
What are the key properties of N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide?
N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide has a molecular weight of 316.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 43813930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).