N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide

C16H14F2N2O3 — CID 30485626

IUPACN'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H14F2N2O3/c1-2-23-12-6-3-10(4-7-12)15(21)19-20-16(22)13-9-11(17)5-8-14(13)18/h3-9H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyPNAKBYBFCZKXNP-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.44
Rot. Bonds4

About N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide

N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide (PubChem CID 30485626) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide
PubChem CID30485626
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC NameN'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H14F2N2O3/c1-2-23-12-6-3-10(4-7-12)15(21)19-20-16(22)13-9-11(17)5-8-14(13)18/h3-9H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyPNAKBYBFCZKXNP-UHFFFAOYSA-N
XLogP2.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466
N'-(4-ethoxybenzoyl)-2,4-difluorobenzohydrazide
CID 8915144
5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9492712
N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
CID 134034269
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 26586710
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 115736561
2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide
CID 26767393
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide
CID 27163290

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide (CID 30485626) is N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide?
The InChIKey is PNAKBYBFCZKXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c1-2-23-12-6-3-10(4-7-12)15(21)19-20-16(22)13-9-11(17)5-8-14(13)18/h3-9H,2H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide?
N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide has a molecular weight of 320.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide is sourced from PubChem (CID 30485626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).