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

C18H16F2N2O5 — CID 43014034

IUPAC4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)ccc1OC(F)F
InChIInChI=1S/C18H16F2N2O5/c1-9-16(23)22-12-8-11(4-6-13(12)26-9)21-17(24)10-3-5-14(27-18(19)20)15(7-10)25-2/h3-9,18H,1-2H3,(H,21,24)(H,22,23)
InChIKeyBGKODPHSKLJQQI-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.27
Rot. Bonds5

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

4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (PubChem CID 43014034) has the molecular formula C18H16F2N2O5 and a molecular weight of 378.33 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
PubChem CID43014034
Molecular FormulaC18H16F2N2O5
Molecular Weight378.33 g/mol
Exact Mass378.10
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)ccc1OC(F)F
InChIInChI=1S/C18H16F2N2O5/c1-9-16(23)22-12-8-11(4-6-13(12)26-9)21-17(24)10-3-5-14(27-18(19)20)15(7-10)25-2/h3-9,18H,1-2H3,(H,21,24)(H,22,23)
InChIKeyBGKODPHSKLJQQI-UHFFFAOYSA-N
XLogP3.27
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 9147464
4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 9145193
3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide
CID 9145525
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
CID 1000603
N-(4-acetamidophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683124
3-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129774
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 9145088
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145051
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethoxy)benzamide
CID 17415396
2,4-dimethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17392422
2-(difluoromethoxy)-N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 9146093
3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145079

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (CID 43014034) is 4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is COc1cc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is BGKODPHSKLJQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O5/c1-9-16(23)22-12-8-11(4-6-13(12)26-9)21-17(24)10-3-5-14(27-18(19)20)15(7-10)25-2/h3-9,18H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 378.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 43014034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).