4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide

C17H16ClN3O3 — CID 122438301

IUPAC4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
SMILESO=C1CN(Cc2ccc(Cl)cc2)Cc2cc(C(=O)NO)ccc2N1
InChIInChI=1S/C17H16ClN3O3/c18-14-4-1-11(2-5-14)8-21-9-13-7-12(17(23)20-24)3-6-15(13)19-16(22)10-21/h1-7,24H,8-10H2,(H,19,22)(H,20,23)
InChIKeyHWAJOXYVJCXBAH-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.41
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide

4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide (PubChem CID 122438301) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
PubChem CID122438301
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
SMILESO=C1CN(Cc2ccc(Cl)cc2)Cc2cc(C(=O)NO)ccc2N1
InChIInChI=1S/C17H16ClN3O3/c18-14-4-1-11(2-5-14)8-21-9-13-7-12(17(23)20-24)3-6-15(13)19-16(22)10-21/h1-7,24H,8-10H2,(H,19,22)(H,20,23)
InChIKeyHWAJOXYVJCXBAH-UHFFFAOYSA-N
XLogP2.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.41
H-Bond Donors ≤ 53
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-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
CID 122437946
4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
CID 122437849
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455
N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide
CID 122437895
(7S)-1'-[(4-chlorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619551
1'-[(4-chlorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619692
N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344819
2-[(4-chlorophenyl)methyl]-8-(2-hydroxyacetyl)-3,5-dihydro-1H-2-benzazepin-4-one
CID 147678935
4-chloro-N-hydroxybenzamide
CID 587178
N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide
CID 138556030
4-[(3-amino-4-chlorophenyl)methyl]piperazine-2,6-dione
CID 66084854
N-[(3-chlorophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911732

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide (CID 122438301) is 4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide is O=C1CN(Cc2ccc(Cl)cc2)Cc2cc(C(=O)NO)ccc2N1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
The InChIKey is HWAJOXYVJCXBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c18-14-4-1-11(2-5-14)8-21-9-13-7-12(17(23)20-24)3-6-15(13)19-16(22)10-21/h1-7,24H,8-10H2,(H,19,22)(H,20,23).
What are the key properties of 4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide is sourced from PubChem (CID 122438301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).