2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide

C14H17ClFNO2 — CID 115759842

IUPAC2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCCC1)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO2/c1-17(9-14(19)7-2-3-8-14)13(18)12-10(15)5-4-6-11(12)16/h4-6,19H,2-3,7-9H2,1H3
InChIKeyIJGLRZJAVHTXPC-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.86
Rot. Bonds3

About 2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide

2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide (PubChem CID 115759842) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
PubChem CID115759842
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCCC1)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO2/c1-17(9-14(19)7-2-3-8-14)13(18)12-10(15)5-4-6-11(12)16/h4-6,19H,2-3,7-9H2,1H3
InChIKeyIJGLRZJAVHTXPC-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide (CID 115759842) is 2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide is CN(CC1(O)CCCC1)C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide?
The InChIKey is IJGLRZJAVHTXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-17(9-14(19)7-2-3-8-14)13(18)12-10(15)5-4-6-11(12)16/h4-6,19H,2-3,7-9H2,1H3.
What are the key properties of 2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide?
2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide has a molecular weight of 285.75 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 115759842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).