N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide

C14H12F3N3O — CID 62661139

IUPACN-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide
SMILESNNc1c(F)cccc1C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F3N3O/c15-10-5-4-8(6-12(10)17)7-19-14(21)9-2-1-3-11(16)13(9)20-18/h1-6,20H,7,18H2,(H,19,21)
InChIKeyZXGZCEVLESWHBW-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.32
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide

N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide (PubChem CID 62661139) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide
PubChem CID62661139
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide
SMILESNNc1c(F)cccc1C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F3N3O/c15-10-5-4-8(6-12(10)17)7-19-14(21)9-2-1-3-11(16)13(9)20-18/h1-6,20H,7,18H2,(H,19,21)
InChIKeyZXGZCEVLESWHBW-UHFFFAOYSA-N
XLogP2.32
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-2-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62989936
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
CID 115930472
3-fluoro-2-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62661142
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62248177
3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 62660449
3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82875128
N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 83114769
3-fluoro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309300
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide (CID 62661139) is N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide is NNc1c(F)cccc1C(=O)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide?
The InChIKey is ZXGZCEVLESWHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-10-5-4-8(6-12(10)17)7-19-14(21)9-2-1-3-11(16)13(9)20-18/h1-6,20H,7,18H2,(H,19,21).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide?
N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide has a molecular weight of 295.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide is sourced from PubChem (CID 62661139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).