2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide

C17H14ClFN2O3 — CID 110404522

IUPAC2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
SMILESCN1C(=O)C(CNC(=O)c2c(F)cccc2Cl)Oc2ccccc21
InChIInChI=1S/C17H14ClFN2O3/c1-21-12-7-2-3-8-13(12)24-14(17(21)23)9-20-16(22)15-10(18)5-4-6-11(15)19/h2-8,14H,9H2,1H3,(H,20,22)
InChIKeyMKEFFAWQIVBFPU-UHFFFAOYSA-N
MW348.76 g/mol
LogP2.63
Rot. Bonds3

About 2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide

2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide (PubChem CID 110404522) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
PubChem CID110404522
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC Name2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
SMILESCN1C(=O)C(CNC(=O)c2c(F)cccc2Cl)Oc2ccccc21
InChIInChI=1S/C17H14ClFN2O3/c1-21-12-7-2-3-8-13(12)24-14(17(21)23)9-20-16(22)15-10(18)5-4-6-11(15)19/h2-8,14H,9H2,1H3,(H,20,22)
InChIKeyMKEFFAWQIVBFPU-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404837
4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
CID 110404478
2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404498
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide
CID 110404497
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide
CID 110404491
4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404798
2-chloro-6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094194
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
CID 110396297
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide (CID 110404522) is 2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide is CN1C(=O)C(CNC(=O)c2c(F)cccc2Cl)Oc2ccccc21.
What is the InChIKey of 2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide?
The InChIKey is MKEFFAWQIVBFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c1-21-12-7-2-3-8-13(12)24-14(17(21)23)9-20-16(22)15-10(18)5-4-6-11(15)19/h2-8,14H,9H2,1H3,(H,20,22).
What are the key properties of 2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide?
2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide has a molecular weight of 348.76 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide is sourced from PubChem (CID 110404522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).