4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide

C15H20FNO3 — CID 91760239

IUPAC4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
SMILESCN(CC1(CO)CCCC1)C(=O)c1ccc(F)c(O)c1
InChIInChI=1S/C15H20FNO3/c1-17(9-15(10-18)6-2-3-7-15)14(20)11-4-5-12(16)13(19)8-11/h4-5,8,18-19H,2-3,6-7,9-10H2,1H3
InChIKeyQMSWNNZEGDUMGI-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.16
Rot. Bonds4

About 4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide

4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide (PubChem CID 91760239) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
PubChem CID91760239
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
SMILESCN(CC1(CO)CCCC1)C(=O)c1ccc(F)c(O)c1
InChIInChI=1S/C15H20FNO3/c1-17(9-15(10-18)6-2-3-7-15)14(20)11-4-5-12(16)13(19)8-11/h4-5,8,18-19H,2-3,6-7,9-10H2,1H3
InChIKeyQMSWNNZEGDUMGI-UHFFFAOYSA-N
XLogP2.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide 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

3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
CID 91768563
4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
CID 119059199
4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
CID 91788116
6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid
CID 121495500
3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
CID 91769756
3,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 114760212
2-[(3-chloro-4-fluorobenzoyl)-methylamino]acetic acid
CID 80502955
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
CID 16772669
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylbenzamide
CID 115267586
4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol
CID 56720245
2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide?
The IUPAC name of 4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide (CID 91760239) is 4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide is CN(CC1(CO)CCCC1)C(=O)c1ccc(F)c(O)c1.
What is the InChIKey of 4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide?
The InChIKey is QMSWNNZEGDUMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-17(9-15(10-18)6-2-3-7-15)14(20)11-4-5-12(16)13(19)8-11/h4-5,8,18-19H,2-3,6-7,9-10H2,1H3.
What are the key properties of 4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide?
4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide has a molecular weight of 281.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide is sourced from PubChem (CID 91760239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).