4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

C16H13ClN2O4 — CID 126645562

IUPAC4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CO2
InChIInChI=1S/C16H13ClN2O4/c17-12-3-1-2-10(6-12)8-19-13-7-11(16(21)18-22)4-5-14(13)23-9-15(19)20/h1-7,22H,8-9H2,(H,18,21)
InChIKeyDSBKJYXZJDSYMI-UHFFFAOYSA-N
MW332.74 g/mol
LogP2.38
Rot. Bonds3

About 4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 126645562) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID126645562
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC Name4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CO2
InChIInChI=1S/C16H13ClN2O4/c17-12-3-1-2-10(6-12)8-19-13-7-11(16(21)18-22)4-5-14(13)23-9-15(19)20/h1-7,22H,8-9H2,(H,18,21)
InChIKeyDSBKJYXZJDSYMI-UHFFFAOYSA-N
XLogP2.38
TPSA78.87 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 ≤ 52.38
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-hydroxy-3-oxo-4-(quinolin-6-ylmethyl)-1,4-benzoxazine-6-carboxamide
CID 126645525
4-[(5-chloro-2-phenyl-1,3-thiazol-4-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646121
4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023806
4-benzyl-N-(2-methoxyethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023793
4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645813
3-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-cyclopropylbenzamide
CID 3663025
N-hydroxy-3-oxo-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,4-benzoxazine-6-carboxamide
CID 126645857
4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646111
N-[2-(4-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023913
4-[(4-methoxyphenyl)methyl]-N-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 147148342
4-[(2,4-dimethoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645596
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-[(4-fluorophenyl)methyl]-1,4-benzoxazin-3-one
CID 53012453

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide (CID 126645562) is 4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide is O=C(NO)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CO2.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is DSBKJYXZJDSYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c17-12-3-1-2-10(6-12)8-19-13-7-11(16(21)18-22)4-5-14(13)23-9-15(19)20/h1-7,22H,8-9H2,(H,18,21).
What are the key properties of 4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 332.74 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126645562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).