N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide

C16H14ClN3O3 — CID 9414874

IUPACN-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1
InChIInChI=1S/C16H14ClN3O3/c17-13-8-6-12(7-9-13)15(22)18-10-14(21)19-20-16(23)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,22)(H,19,21)(H,20,23)
InChIKeyKBEBYCYSPARQNE-UHFFFAOYSA-N
MW331.76 g/mol
LogP1.53
Rot. Bonds4

About N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide

N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide (PubChem CID 9414874) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
PubChem CID9414874
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC NameN-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1
InChIInChI=1S/C16H14ClN3O3/c17-13-8-6-12(7-9-13)15(22)18-10-14(21)19-20-16(23)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,22)(H,19,21)(H,20,23)
InChIKeyKBEBYCYSPARQNE-UHFFFAOYSA-N
XLogP1.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 35159240
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
CID 24634953
N-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 22108267
N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide
CID 51193950
4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3516495
4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 26657294
N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide
CID 46450538
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 24634664

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide (CID 9414874) is N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide is O=C(CNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide?
The InChIKey is KBEBYCYSPARQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-13-8-6-12(7-9-13)15(22)18-10-14(21)19-20-16(23)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide?
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide has a molecular weight of 331.76 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide is sourced from PubChem (CID 9414874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).