3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide

C14H13F2N3O — CID 62660803

IUPAC3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
SMILESNNc1c(F)cccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C14H13F2N3O/c15-11-6-2-1-4-9(11)8-18-14(20)10-5-3-7-12(16)13(10)19-17/h1-7,19H,8,17H2,(H,18,20)
InChIKeySTHNLLHAASKDIL-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.18
Rot. Bonds4

About 3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide

3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide (PubChem CID 62660803) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
PubChem CID62660803
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
SMILESNNc1c(F)cccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C14H13F2N3O/c15-11-6-2-1-4-9(11)8-18-14(20)10-5-3-7-12(16)13(10)19-17/h1-7,19H,8,17H2,(H,18,20)
InChIKeySTHNLLHAASKDIL-UHFFFAOYSA-N
XLogP2.18
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.18
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'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62247960
N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661139
3-fluoro-2-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62661142
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 62660449
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 106040117
N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
CID 64693951
5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62248139
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82875128
2-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
CID 9142222

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide?
The IUPAC name of 3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide (CID 62660803) is 3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide?
The canonical SMILES for 3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide is NNc1c(F)cccc1C(=O)NCc1ccccc1F.
What is the InChIKey of 3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide?
The InChIKey is STHNLLHAASKDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-11-6-2-1-4-9(11)8-18-14(20)10-5-3-7-12(16)13(10)19-17/h1-7,19H,8,17H2,(H,18,20).
What are the key properties of 3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide?
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide has a molecular weight of 277.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide is sourced from PubChem (CID 62660803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).