4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide

C16H15ClN2O3 — CID 126645628

IUPAC4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)N(Cc1ccccc1Cl)CCO2
InChIInChI=1S/C16H15ClN2O3/c17-13-4-2-1-3-12(13)10-19-7-8-22-15-6-5-11(9-14(15)19)16(20)18-21/h1-6,9,21H,7-8,10H2,(H,18,20)
InChIKeyDVTPFKMXDYYZCC-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.86
Rot. Bonds3

About 4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide

4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide (PubChem CID 126645628) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide
PubChem CID126645628
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)N(Cc1ccccc1Cl)CCO2
InChIInChI=1S/C16H15ClN2O3/c17-13-4-2-1-3-12(13)10-19-7-8-22-15-6-5-11(9-14(15)19)16(20)18-21/h1-6,9,21H,7-8,10H2,(H,18,20)
InChIKeyDVTPFKMXDYYZCC-UHFFFAOYSA-N
XLogP2.86
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.86
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-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 126645914
N-hydroxy-4-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 126645633
3-chloro-4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)benzoic acid
CID 117219287
3-[[6-(hydroxycarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzenesulfinate
CID 126677382
(6S)-1'-[(2-chlorophenyl)methyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane
CID 160793557
4-benzyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
CID 82379365
N-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide;dihydrochloride
CID 139726497
2-chloro-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82340103
4-[(2-chloro-4-cyanophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645813
4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345504
4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645562
N-hydroxy-4-[2-(2-phenoxyphenyl)acetyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440340

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide (CID 126645628) is 4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide is O=C(NO)c1ccc2c(c1)N(Cc1ccccc1Cl)CCO2.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The InChIKey is DVTPFKMXDYYZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-13-4-2-1-3-12(13)10-19-7-8-22-15-6-5-11(9-14(15)19)16(20)18-21/h1-6,9,21H,7-8,10H2,(H,18,20).
What are the key properties of 4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126645628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).