1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide

C19H25FN2O — CID 71926291

IUPAC1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)C1(c3ccc(F)cc3)CC1)C2
InChIInChI=1S/C19H25FN2O/c1-22-16-3-2-4-17(22)12-15(11-16)21-18(23)19(9-10-19)13-5-7-14(20)8-6-13/h5-8,15-17H,2-4,9-12H2,1H3,(H,21,23)
InChIKeyDCYGDMKTGHPJLD-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.99
Rot. Bonds3

About 1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide (PubChem CID 71926291) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
PubChem CID71926291
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)C1(c3ccc(F)cc3)CC1)C2
InChIInChI=1S/C19H25FN2O/c1-22-16-3-2-4-17(22)12-15(11-16)21-18(23)19(9-10-19)13-5-7-14(20)8-6-13/h5-8,15-17H,2-4,9-12H2,1H3,(H,21,23)
InChIKeyDCYGDMKTGHPJLD-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

Analyze 1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
CID 75374478
4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide
CID 60582793
N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 126789566
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide
CID 127795927
1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopentane-1-carboxamide
CID 65472189
2-[ethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid
CID 128995508
1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide
CID 65472005
2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid
CID 128999116
1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide
CID 126935616
1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120575377
N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652
2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 6928663

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide (CID 71926291) is 1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide is CN1C2CCCC1CC(NC(=O)C1(c3ccc(F)cc3)CC1)C2.
What is the InChIKey of 1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide?
The InChIKey is DCYGDMKTGHPJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-22-16-3-2-4-17(22)12-15(11-16)21-18(23)19(9-10-19)13-5-7-14(20)8-6-13/h5-8,15-17H,2-4,9-12H2,1H3,(H,21,23).
What are the key properties of 1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide?
1-(4-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-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71926291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).