N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide

C18H24FNO3 — CID 139020107

IUPACN-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C(NC1CC(CO)(CO)C1)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C18H24FNO3/c19-15-6-2-1-5-14(15)18(7-3-4-8-18)16(23)20-13-9-17(10-13,11-21)12-22/h1-2,5-6,13,21-22H,3-4,7-12H2,(H,20,23)
InChIKeyOGABPVXLYVMWCP-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.89
Rot. Bonds5

About N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide

N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 139020107) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID139020107
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC NameN-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C(NC1CC(CO)(CO)C1)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C18H24FNO3/c19-15-6-2-1-5-14(15)18(7-3-4-8-18)16(23)20-13-9-17(10-13,11-21)12-22/h1-2,5-6,13,21-22H,3-4,7-12H2,(H,20,23)
InChIKeyOGABPVXLYVMWCP-UHFFFAOYSA-N
XLogP1.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-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

N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110437552
N-cyclopropyl-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 53016800
1-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 110438309
1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
CID 75374478
1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 47908630
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 110438323
(3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide
CID 11696680
1-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110438283
[2-(cyclopentylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661548
1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide
CID 91762806
2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 122110125

Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide (CID 139020107) is N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide is O=C(NC1CC(CO)(CO)C1)C1(c2ccccc2F)CCCC1.
What is the InChIKey of N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is OGABPVXLYVMWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3/c19-15-6-2-1-5-14(15)18(7-3-4-8-18)16(23)20-13-9-17(10-13,11-21)12-22/h1-2,5-6,13,21-22H,3-4,7-12H2,(H,20,23).
What are the key properties of N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 321.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 139020107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).