3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide

C16H12ClN3O4 — CID 7809144

IUPAC3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide
SMILESO=C(Cn1c(=O)oc2ccccc21)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O4/c17-11-5-3-4-10(8-11)15(22)19-18-14(21)9-20-12-6-1-2-7-13(12)24-16(20)23/h1-8H,9H2,(H,18,21)(H,19,22)
InChIKeyDIFYEESNVYQLKA-UHFFFAOYSA-N
MW345.74 g/mol
LogP1.71
Rot. Bonds3

About 3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide

3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide (PubChem CID 7809144) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is 3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide
PubChem CID7809144
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC Name3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide
SMILESO=C(Cn1c(=O)oc2ccccc21)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O4/c17-11-5-3-4-10(8-11)15(22)19-18-14(21)9-20-12-6-1-2-7-13(12)24-16(20)23/h1-8H,9H2,(H,18,21)(H,19,22)
InChIKeyDIFYEESNVYQLKA-UHFFFAOYSA-N
XLogP1.71
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide
CID 27691465
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]cyclopentanecarbohydrazide
CID 75511657
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 110004268
N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55450997
3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide
CID 8986813
N,N-dimethyl-3-[[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]carbamoyl]benzenesulfonamide
CID 26850250
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401502
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide (CID 7809144) is 3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide is O=C(Cn1c(=O)oc2ccccc21)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide?
The InChIKey is DIFYEESNVYQLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4/c17-11-5-3-4-10(8-11)15(22)19-18-14(21)9-20-12-6-1-2-7-13(12)24-16(20)23/h1-8H,9H2,(H,18,21)(H,19,22).
What are the key properties of 3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide?
3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide has a molecular weight of 345.74 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 7809144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).