N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide

C17H23FN2O — CID 110361783

IUPACN-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1cc(N2CCCC2)ccc1F)C1CCCCC1
InChIInChI=1S/C17H23FN2O/c18-15-9-8-14(20-10-4-5-11-20)12-16(15)19-17(21)13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,21)
InChIKeyVHVUISRGDBFNGG-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.94
Rot. Bonds3

About N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide

N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide (PubChem CID 110361783) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
PubChem CID110361783
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1cc(N2CCCC2)ccc1F)C1CCCCC1
InChIInChI=1S/C17H23FN2O/c18-15-9-8-14(20-10-4-5-11-20)12-16(15)19-17(21)13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,21)
InChIKeyVHVUISRGDBFNGG-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide 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

N-(2-fluoro-5-piperidin-1-ylphenyl)propanamide
CID 110362225
N-(2-methoxy-5-piperidin-1-ylphenyl)cyclobutanecarboxamide
CID 110426214
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide
CID 110361779
N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 2224325
N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide
CID 31929476
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 648152
N-(2-fluoro-5-piperidin-1-ylphenyl)furan-2-carboxamide
CID 110362234
N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide
CID 17026707
N-(2-fluoro-5-sulfamoylphenyl)cyclopentanecarboxamide
CID 61129788
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide (CID 110361783) is N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide is O=C(Nc1cc(N2CCCC2)ccc1F)C1CCCCC1.
What is the InChIKey of N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide?
The InChIKey is VHVUISRGDBFNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-15-9-8-14(20-10-4-5-11-20)12-16(15)19-17(21)13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,21).
What are the key properties of N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide?
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide has a molecular weight of 290.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 110361783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).