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

C16H13ClN2O4 — CID 98370706

IUPAC(2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H]1Oc2ccccc2NC1=O
InChIInChI=1S/C16H13ClN2O4/c1-22-12-7-6-9(17)8-11(12)19-16(21)14-15(20)18-10-4-2-3-5-13(10)23-14/h2-8,14H,1H3,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyJCLHUOKYGNBBCR-CQSZACIVSA-N
MW332.74 g/mol
LogP2.69
Rot. Bonds3

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

(2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 98370706) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
PubChem CID98370706
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC Name(2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H]1Oc2ccccc2NC1=O
InChIInChI=1S/C16H13ClN2O4/c1-22-12-7-6-9(17)8-11(12)19-16(21)14-15(20)18-10-4-2-3-5-13(10)23-14/h2-8,14H,1H3,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyJCLHUOKYGNBBCR-CQSZACIVSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
CID 110689150
N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 53010175
N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769204
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
(3S)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7860754
N-(5-chloro-2-methoxyphenyl)-4-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonyl]piperazine-1-carboxamide
CID 92870990
(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26094799
N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699743
6-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6469206
(3S,3'R,5'R)-N-(5-chloro-2-methoxyphenyl)-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 26913371
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9147824
N-(5-chloro-2-methoxyphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497852

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (CID 98370706) is (2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)[C@@H]1Oc2ccccc2NC1=O.
What is the InChIKey of (2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is JCLHUOKYGNBBCR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c1-22-12-7-6-9(17)8-11(12)19-16(21)14-15(20)18-10-4-2-3-5-13(10)23-14/h2-8,14H,1H3,(H,18,20)(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
(2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 332.74 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 98370706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).