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

C16H11Cl2FN2O3 — CID 75796620

IUPAC6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)cc2F)Oc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C16H11Cl2FN2O3/c1-16(14(22)20-11-4-2-8(17)6-10(11)19)15(23)21-12-7-9(18)3-5-13(12)24-16/h2-7H,1H3,(H,20,22)(H,21,23)
InChIKeyNDWYHPAADWLLDC-UHFFFAOYSA-N
MW369.18 g/mol
LogP3.86
Rot. Bonds2

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

6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 75796620) has the molecular formula C16H11Cl2FN2O3 and a molecular weight of 369.18 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
PubChem CID75796620
Molecular FormulaC16H11Cl2FN2O3
Molecular Weight369.18 g/mol
Exact Mass368.01
IUPAC Name6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)cc2F)Oc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C16H11Cl2FN2O3/c1-16(14(22)20-11-4-2-8(17)6-10(11)19)15(23)21-12-7-9(18)3-5-13(12)24-16/h2-7H,1H3,(H,20,22)(H,21,23)
InChIKeyNDWYHPAADWLLDC-UHFFFAOYSA-N
XLogP3.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2,6-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796573
6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56730123
6-chloro-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796578
6-chloro-2-methyl-N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56730173
N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75769466
6-chloro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56730176
6-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796411
N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796236
6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796364
N-(4-fluoro-2-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796006
N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796450
N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (CID 75796620) is 6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is CC1(C(=O)Nc2ccc(Cl)cc2F)Oc2ccc(Cl)cc2NC1=O.
What is the InChIKey of 6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is NDWYHPAADWLLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O3/c1-16(14(22)20-11-4-2-8(17)6-10(11)19)15(23)21-12-7-9(18)3-5-13(12)24-16/h2-7H,1H3,(H,20,22)(H,21,23).
What are the key properties of 6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 369.18 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75796620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).