5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide

C13H15ClFNO2 — CID 110875853

IUPAC5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCN(CC1CCOC1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H15ClFNO2/c1-16(7-9-4-5-18-8-9)13(17)11-6-10(14)2-3-12(11)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyZKZRKXQFEAQJKR-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.59
Rot. Bonds3

About 5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide

5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 110875853) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID110875853
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCN(CC1CCOC1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H15ClFNO2/c1-16(7-9-4-5-18-8-9)13(17)11-6-10(14)2-3-12(11)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyZKZRKXQFEAQJKR-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-Chloro-2-fluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzamide
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2,6-Difluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide (CID 110875853) is 5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide is CN(CC1CCOC1)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is ZKZRKXQFEAQJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-16(7-9-4-5-18-8-9)13(17)11-6-10(14)2-3-12(11)15/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 271.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 110875853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).