4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

C17H14F2N2O4 — CID 126646044

IUPAC4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC(c1c(F)cccc1F)N1C(=O)COc2ccc(C(=O)NO)cc21
InChIInChI=1S/C17H14F2N2O4/c1-9(16-11(18)3-2-4-12(16)19)21-13-7-10(17(23)20-24)5-6-14(13)25-8-15(21)22/h2-7,9,24H,8H2,1H3,(H,20,23)
InChIKeyVXNMPFMRDPKWEK-UHFFFAOYSA-N
MW348.31 g/mol
LogP2.57
Rot. Bonds3

About 4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 126646044) has the molecular formula C17H14F2N2O4 and a molecular weight of 348.31 g/mol. Its IUPAC name is 4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID126646044
Molecular FormulaC17H14F2N2O4
Molecular Weight348.31 g/mol
Exact Mass348.09
IUPAC Name4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC(c1c(F)cccc1F)N1C(=O)COc2ccc(C(=O)NO)cc21
InChIInChI=1S/C17H14F2N2O4/c1-9(16-11(18)3-2-4-12(16)19)21-13-7-10(17(23)20-24)5-6-14(13)25-8-15(21)22/h2-7,9,24H,8H2,1H3,(H,20,23)
InChIKeyVXNMPFMRDPKWEK-UHFFFAOYSA-N
XLogP2.57
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763933
4-[(2-fluoro-4-methoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646017
4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645562
4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646111
2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-aminoethyl)propanamide
CID 82032417
propan-2-yl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 82019545
4-[(2,4-dimethoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645596
N-[2-(4-fluorophenyl)ethyl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763854
methyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)butanoate
CID 82019547
2-[6-[2-(2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46034756
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 3291345
4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53085009

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide (CID 126646044) is 4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide is CC(c1c(F)cccc1F)N1C(=O)COc2ccc(C(=O)NO)cc21.
What is the InChIKey of 4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is VXNMPFMRDPKWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O4/c1-9(16-11(18)3-2-4-12(16)19)21-13-7-10(17(23)20-24)5-6-14(13)25-8-15(21)22/h2-7,9,24H,8H2,1H3,(H,20,23).
What are the key properties of 4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 348.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-difluorophenyl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126646044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).