3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide

C16H18FNO2 — CID 64686483

IUPAC3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
SMILESCC1(NC(=O)c2ccc(C#CCO)c(F)c2)CCCC1
InChIInChI=1S/C16H18FNO2/c1-16(8-2-3-9-16)18-15(20)13-7-6-12(5-4-10-19)14(17)11-13/h6-7,11,19H,2-3,8-10H2,1H3,(H,18,20)
InChIKeyYOMODVKOPDBTCB-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.23
Rot. Bonds2

About 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide

3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide (PubChem CID 64686483) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
PubChem CID64686483
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
SMILESCC1(NC(=O)c2ccc(C#CCO)c(F)c2)CCCC1
InChIInChI=1S/C16H18FNO2/c1-16(8-2-3-9-16)18-15(20)13-7-6-12(5-4-10-19)14(17)11-13/h6-7,11,19H,2-3,8-10H2,1H3,(H,18,20)
InChIKeyYOMODVKOPDBTCB-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide 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

4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64688470
3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64687881
N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 62414632
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methoxypropyl)benzamide
CID 102700170
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641767
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106021758
3-fluoro-4-(3-hydroxyprop-1-ynyl)benzoic acid
CID 169485195
3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide
CID 62200463
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide
CID 114550641
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(oxan-4-ylmethyl)benzamide
CID 63707253
5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide
CID 79696223
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methylcyclopentyl)benzamide
CID 64688471

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide?
The IUPAC name of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide (CID 64686483) is 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide.
What is the SMILES notation for 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide?
The canonical SMILES for 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide is CC1(NC(=O)c2ccc(C#CCO)c(F)c2)CCCC1.
What is the InChIKey of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide?
The InChIKey is YOMODVKOPDBTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-16(8-2-3-9-16)18-15(20)13-7-6-12(5-4-10-19)14(17)11-13/h6-7,11,19H,2-3,8-10H2,1H3,(H,18,20).
What are the key properties of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide?
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide has a molecular weight of 275.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide is sourced from PubChem (CID 64686483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).