4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

C17H12ClN3O4 — CID 126645813

IUPAC4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESN#Cc1ccc(CN2C(=O)COc3ccc(C(=O)NO)cc32)c(Cl)c1
InChIInChI=1S/C17H12ClN3O4/c18-13-5-10(7-19)1-2-12(13)8-21-14-6-11(17(23)20-24)3-4-15(14)25-9-16(21)22/h1-6,24H,8-9H2,(H,20,23)
InChIKeyUHLWEOSIVCDSJX-UHFFFAOYSA-N
MW357.75 g/mol
LogP2.26
Rot. Bonds3

About 4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 126645813) has the molecular formula C17H12ClN3O4 and a molecular weight of 357.75 g/mol. Its IUPAC name is 4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID126645813
Molecular FormulaC17H12ClN3O4
Molecular Weight357.75 g/mol
Exact Mass357.05
IUPAC Name4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESN#Cc1ccc(CN2C(=O)COc3ccc(C(=O)NO)cc32)c(Cl)c1
InChIInChI=1S/C17H12ClN3O4/c18-13-5-10(7-19)1-2-12(13)8-21-14-6-11(17(23)20-24)3-4-15(14)25-9-16(21)22/h1-6,24H,8-9H2,(H,20,23)
InChIKeyUHLWEOSIVCDSJX-UHFFFAOYSA-N
XLogP2.26
TPSA102.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide 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

4-[(1-cyanoindolizin-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645363
4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645562
4-[(2,4-dimethoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645596
4-[(2-fluoro-4-methoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646017
4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646111
4-[(5-chloro-2-phenyl-1,3-thiazol-4-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646121
3-methyl-4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile
CID 114481318
4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126678159
4-[(4-methoxyphenyl)methyl]-N-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 147148342
N-hydroxy-3-oxo-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,4-benzoxazine-6-carboxamide
CID 126645857
N-hydroxy-3-oxo-4-(quinolin-6-ylmethyl)-1,4-benzoxazine-6-carboxamide
CID 126645525
N-hydroxy-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646087

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide (CID 126645813) is 4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide is N#Cc1ccc(CN2C(=O)COc3ccc(C(=O)NO)cc32)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is UHLWEOSIVCDSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O4/c18-13-5-10(7-19)1-2-12(13)8-21-14-6-11(17(23)20-24)3-4-15(14)25-9-16(21)22/h1-6,24H,8-9H2,(H,20,23).
What are the key properties of 4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide?
4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 357.75 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126645813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).