N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide

C16H13ClN2O4 — CID 110699743

IUPACN-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc2c1NC(=O)CO2
InChIInChI=1S/C16H13ClN2O4/c1-22-12-6-5-9(17)7-11(12)18-16(21)10-3-2-4-13-15(10)19-14(20)8-23-13/h2-7H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyJJXGKLSUWGWOOC-UHFFFAOYSA-N
MW332.74 g/mol
LogP2.93
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide

N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide (PubChem CID 110699743) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
PubChem CID110699743
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc2c1NC(=O)CO2
InChIInChI=1S/C16H13ClN2O4/c1-22-12-6-5-9(17)7-11(12)18-16(21)10-3-2-4-13-15(10)19-14(20)8-23-13/h2-7H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyJJXGKLSUWGWOOC-UHFFFAOYSA-N
XLogP2.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 59153381
N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699663
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498
N-(5-chloro-2-methoxyphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
CID 126459300
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-ylbenzamide
CID 48980598
8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 100794843
N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 775353
N-(5-chloro-2-methoxyphenyl)-1-methylindole-4-carboxamide
CID 112520804
N-(5-chloro-2-methoxyphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497852
N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132566
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699703

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide (CID 110699743) is N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cccc2c1NC(=O)CO2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The InChIKey is JJXGKLSUWGWOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c1-22-12-6-5-9(17)7-11(12)18-16(21)10-3-2-4-13-15(10)19-14(20)8-23-13/h2-7H,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide has a molecular weight of 332.74 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide is sourced from PubChem (CID 110699743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).