2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide

C14H17ClFNO2 — CID 167757534

IUPAC2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide
SMILESCc1cc(C(=O)NC[C@H]2CCC[C@@H]2O)c(Cl)cc1F
InChIInChI=1S/C14H17ClFNO2/c1-8-5-10(11(15)6-12(8)16)14(19)17-7-9-3-2-4-13(9)18/h5-6,9,13,18H,2-4,7H2,1H3,(H,17,19)/t9-,13+/m1/s1
InChIKeyHSSOEYHIZABQNH-RNCFNFMXSA-N
MW285.75 g/mol
LogP2.68
Rot. Bonds3

About 2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide

2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide (PubChem CID 167757534) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide
PubChem CID167757534
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide
SMILESCc1cc(C(=O)NC[C@H]2CCC[C@@H]2O)c(Cl)cc1F
InChIInChI=1S/C14H17ClFNO2/c1-8-5-10(11(15)6-12(8)16)14(19)17-7-9-3-2-4-13(9)18/h5-6,9,13,18H,2-4,7H2,1H3,(H,17,19)/t9-,13+/m1/s1
InChIKeyHSSOEYHIZABQNH-RNCFNFMXSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-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

2-chloro-N-[(2-hydroxycyclohexyl)methyl]-5-sulfanylbenzamide
CID 107031032
N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide
CID 119382876
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide
CID 110027707
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071
2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
CID 99855973
N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103696159
N-[(2-hydroxycyclopentyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247272
5-fluoro-N-[(2-hydroxycyclopentyl)methyl]-2-methoxybenzamide
CID 111464236
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide
CID 64929672
N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 111471329

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide (CID 167757534) is 2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide is Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2O)c(Cl)cc1F.
What is the InChIKey of 2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide?
The InChIKey is HSSOEYHIZABQNH-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-8-5-10(11(15)6-12(8)16)14(19)17-7-9-3-2-4-13(9)18/h5-6,9,13,18H,2-4,7H2,1H3,(H,17,19)/t9-,13+/m1/s1.
What are the key properties of 2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide?
2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide has a molecular weight of 285.75 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide is sourced from PubChem (CID 167757534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).