N'-acetyl-4-formyl-N'-phenylbenzohydrazide

C16H14N2O3 — CID 166611175

IUPACN'-acetyl-4-formyl-N'-phenylbenzohydrazide
SMILESCC(=O)N(NC(=O)c1ccc(C=O)cc1)c1ccccc1
InChIInChI=1S/C16H14N2O3/c1-12(20)18(15-5-3-2-4-6-15)17-16(21)14-9-7-13(11-19)8-10-14/h2-11H,1H3,(H,17,21)
InChIKeyMUTXYWLMNJAVDN-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.20
Rot. Bonds3

About N'-acetyl-4-formyl-N'-phenylbenzohydrazide

N'-acetyl-4-formyl-N'-phenylbenzohydrazide (PubChem CID 166611175) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N'-acetyl-4-formyl-N'-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-formyl-N'-phenylbenzohydrazide
PubChem CID166611175
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN'-acetyl-4-formyl-N'-phenylbenzohydrazide
SMILESCC(=O)N(NC(=O)c1ccc(C=O)cc1)c1ccccc1
InChIInChI=1S/C16H14N2O3/c1-12(20)18(15-5-3-2-4-6-15)17-16(21)14-9-7-13(11-19)8-10-14/h2-11H,1H3,(H,17,21)
InChIKeyMUTXYWLMNJAVDN-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-N-butyl-4-formylbenzohydrazide
CID 154230416
4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171
4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde
CID 102222128
1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea
CID 22306389
N',N'-dibenzamidobenzohydrazide
CID 91211036
N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide
CID 4208785
4-[(N-phenylanilino)carbamoyl]benzoic acid
CID 154425336
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
acetyl chloride;benzaldehyde
CID 88812659
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
CID 88940421
1-(4-formylphenyl)-1-phenylurea
CID 57262410
N-butyl-4-formylbenzamide
CID 118474745

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4-formyl-N'-phenylbenzohydrazide?
The IUPAC name of N'-acetyl-4-formyl-N'-phenylbenzohydrazide (CID 166611175) is N'-acetyl-4-formyl-N'-phenylbenzohydrazide.
What is the SMILES notation for N'-acetyl-4-formyl-N'-phenylbenzohydrazide?
The canonical SMILES for N'-acetyl-4-formyl-N'-phenylbenzohydrazide is CC(=O)N(NC(=O)c1ccc(C=O)cc1)c1ccccc1.
What is the InChIKey of N'-acetyl-4-formyl-N'-phenylbenzohydrazide?
The InChIKey is MUTXYWLMNJAVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-12(20)18(15-5-3-2-4-6-15)17-16(21)14-9-7-13(11-19)8-10-14/h2-11H,1H3,(H,17,21).
What are the key properties of N'-acetyl-4-formyl-N'-phenylbenzohydrazide?
N'-acetyl-4-formyl-N'-phenylbenzohydrazide has a molecular weight of 282.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-formyl-N'-phenylbenzohydrazide is sourced from PubChem (CID 166611175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).