2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide

C13H15ClFNO3 — CID 107301456

IUPAC2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
SMILESCC1OCCC1(O)CNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFNO3/c1-8-13(18,4-5-19-8)7-16-12(17)10-3-2-9(15)6-11(10)14/h2-3,6,8,18H,4-5,7H2,1H3,(H,16,17)
InChIKeyRYQWXOPPLBLCIS-UHFFFAOYSA-N
MW287.72 g/mol
LogP1.75
Rot. Bonds3

About 2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide

2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide (PubChem CID 107301456) has the molecular formula C13H15ClFNO3 and a molecular weight of 287.72 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
PubChem CID107301456
Molecular FormulaC13H15ClFNO3
Molecular Weight287.72 g/mol
Exact Mass287.07
IUPAC Name2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
SMILESCC1OCCC1(O)CNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFNO3/c1-8-13(18,4-5-19-8)7-16-12(17)10-3-2-9(15)6-11(10)14/h2-3,6,8,18H,4-5,7H2,1H3,(H,16,17)
InChIKeyRYQWXOPPLBLCIS-UHFFFAOYSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099080
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methoxybenzamide
CID 107301442
2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107302139
2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099116
1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107268642
5-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzamide
CID 107302287
2-chloro-5-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271388
5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide
CID 107301534
2-(2,4-dichlorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301999
2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide (CID 107301456) is 2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide is CC1OCCC1(O)CNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The InChIKey is RYQWXOPPLBLCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO3/c1-8-13(18,4-5-19-8)7-16-12(17)10-3-2-9(15)6-11(10)14/h2-3,6,8,18H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide has a molecular weight of 287.72 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 107301456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).