N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide

C16H11ClF2N2O4 — CID 31906832

IUPACN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide
SMILESO=C1COc2cc(NC(=O)c3ccccc3OC(F)F)c(Cl)cc2N1
InChIInChI=1S/C16H11ClF2N2O4/c17-9-5-11-13(24-7-14(22)20-11)6-10(9)21-15(23)8-3-1-2-4-12(8)25-16(18)19/h1-6,16H,7H2,(H,20,22)(H,21,23)
InChIKeyORPPXGZHZSLOMV-UHFFFAOYSA-N
MW368.72 g/mol
LogP3.52
Rot. Bonds4

About N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide

N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide (PubChem CID 31906832) has the molecular formula C16H11ClF2N2O4 and a molecular weight of 368.72 g/mol. Its IUPAC name is N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide
PubChem CID31906832
Molecular FormulaC16H11ClF2N2O4
Molecular Weight368.72 g/mol
Exact Mass368.04
IUPAC NameN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide
SMILESO=C1COc2cc(NC(=O)c3ccccc3OC(F)F)c(Cl)cc2N1
InChIInChI=1S/C16H11ClF2N2O4/c17-9-5-11-13(24-7-14(22)20-11)6-10(9)21-15(23)8-3-1-2-4-12(8)25-16(18)19/h1-6,16H,7H2,(H,20,22)(H,21,23)
InChIKeyORPPXGZHZSLOMV-UHFFFAOYSA-N
XLogP3.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.72
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-bromo-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
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N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide
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2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
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N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
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2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide
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N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(2-methoxyethylamino)acetamide
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N-(2-bromo-5-chlorophenyl)-2-(difluoromethoxy)benzamide
CID 81260760
2-[(4-fluorophenyl)methoxy]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153524
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide (CID 31906832) is N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide is O=C1COc2cc(NC(=O)c3ccccc3OC(F)F)c(Cl)cc2N1.
What is the InChIKey of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide?
The InChIKey is ORPPXGZHZSLOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2O4/c17-9-5-11-13(24-7-14(22)20-11)6-10(9)21-15(23)8-3-1-2-4-12(8)25-16(18)19/h1-6,16H,7H2,(H,20,22)(H,21,23).
What are the key properties of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide?
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide has a molecular weight of 368.72 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 31906832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).