N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide

C16H13ClN2O3 — CID 110701762

IUPACN-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
SMILESCN1C(=O)COc2c(C(=O)Nc3cccc(Cl)c3)cccc21
InChIInChI=1S/C16H13ClN2O3/c1-19-13-7-3-6-12(15(13)22-9-14(19)20)16(21)18-11-5-2-4-10(17)8-11/h2-8H,9H2,1H3,(H,18,21)
InChIKeyIQHSXCBPIXZAEI-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.95
Rot. Bonds2

About N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide

N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide (PubChem CID 110701762) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
PubChem CID110701762
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC NameN-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
SMILESCN1C(=O)COc2c(C(=O)Nc3cccc(Cl)c3)cccc21
InChIInChI=1S/C16H13ClN2O3/c1-19-13-7-3-6-12(15(13)22-9-14(19)20)16(21)18-11-5-2-4-10(17)8-11/h2-8H,9H2,1H3,(H,18,21)
InChIKeyIQHSXCBPIXZAEI-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide
CID 110701754
N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701760
4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide
CID 110701662
N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701727
2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778138
N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691306
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
N-(3-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550042
3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291854
N-(3-chlorophenyl)-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 121156730
2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291846
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide (CID 110701762) is N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide is CN1C(=O)COc2c(C(=O)Nc3cccc(Cl)c3)cccc21.
What is the InChIKey of N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The InChIKey is IQHSXCBPIXZAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-19-13-7-3-6-12(15(13)22-9-14(19)20)16(21)18-11-5-2-4-10(17)8-11/h2-8H,9H2,1H3,(H,18,21).
What are the key properties of N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide has a molecular weight of 316.74 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).