5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide

C14H17ClFNO2 — CID 55227012

IUPAC5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H17ClFNO2/c1-17(9-10-4-6-19-7-5-10)14(18)12-8-11(15)2-3-13(12)16/h2-3,8,10H,4-7,9H2,1H3
InChIKeyQGLBSKFQMPKBKB-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.98
Rot. Bonds3

About 5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide

5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 55227012) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID55227012
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H17ClFNO2/c1-17(9-10-4-6-19-7-5-10)14(18)12-8-11(15)2-3-13(12)16/h2-3,8,10H,4-7,9H2,1H3
InChIKeyQGLBSKFQMPKBKB-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide (CID 55227012) is 5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide is CN(CC1CCOCC1)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is QGLBSKFQMPKBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-17(9-10-4-6-19-7-5-10)14(18)12-8-11(15)2-3-13(12)16/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
5-chloro-2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 285.75 g/mol, XLogP of 2.98, 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-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 55227012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).