4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide

C16H16FN3O2 — CID 3914670

IUPAC4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
SMILESCN(C)c1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FN3O2/c1-20(2)14-9-5-12(6-10-14)16(22)19-18-15(21)11-3-7-13(17)8-4-11/h3-10H,1-2H3,(H,18,21)(H,19,22)
InChIKeyAWCPTZSWEXNWAC-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.97
Rot. Bonds3

About 4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide

4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide (PubChem CID 3914670) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
PubChem CID3914670
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
SMILESCN(C)c1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FN3O2/c1-20(2)14-9-5-12(6-10-14)16(22)19-18-15(21)11-3-7-13(17)8-4-11/h3-10H,1-2H3,(H,18,21)(H,19,22)
InChIKeyAWCPTZSWEXNWAC-UHFFFAOYSA-N
XLogP1.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.97
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

4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide
CID 24788094
4-(dimethylamino)-N-[3-(4-fluorophenyl)prop-2-ynyl]benzamide
CID 90548264
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800
N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide
CID 4694656
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
[[4-(4-fluorophenyl)benzoyl]amino]urea
CID 23433295
N-(dimethylcarbamoyl)-4-fluorobenzamide
CID 134890610
N'-tert-butyl-4-fluorobenzohydrazide
CID 15617766
4-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 110487764
N'-(4-fluorobenzoyl)-4-(methoxymethyl)benzohydrazide
CID 8573769
N-[2-(2,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795613

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide?
The IUPAC name of 4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide (CID 3914670) is 4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide.
What is the SMILES notation for 4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide?
The canonical SMILES for 4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide is CN(C)c1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide?
The InChIKey is AWCPTZSWEXNWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-20(2)14-9-5-12(6-10-14)16(22)19-18-15(21)11-3-7-13(17)8-4-11/h3-10H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide?
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide has a molecular weight of 301.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide is sourced from PubChem (CID 3914670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).