N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C17H14ClFN2O3 — CID 17463334

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H14ClFN2O3/c1-21(8-11-12(18)3-2-4-13(11)19)17(23)10-5-6-15-14(7-10)20-16(22)9-24-15/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyVLGWEDRYGGPGCZ-UHFFFAOYSA-N
MW348.76 g/mol
LogP3.08
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 17463334) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID17463334
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H14ClFN2O3/c1-21(8-11-12(18)3-2-4-13(11)19)17(23)10-5-6-15-14(7-10)20-16(22)9-24-15/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyVLGWEDRYGGPGCZ-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17403166
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763351
3-[methyl-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]propanoic acid
CID 60989417
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763786
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2H-chromene-3-carboxamide
CID 18200369
3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
CID 107951759
N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
CID 18083832
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104852084
N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 78843937
N-[(2-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023814
6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one
CID 17407632

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 17463334) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is VLGWEDRYGGPGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c1-21(8-11-12(18)3-2-4-13(11)19)17(23)10-5-6-15-14(7-10)20-16(22)9-24-15/h2-7H,8-9H2,1H3,(H,20,22).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 348.76 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 17463334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).