N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide

C16H15F2N3O2 — CID 126544337

IUPACN-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N(Cc1ccc(C(=O)NN)cc1F)c1cccc(F)c1
InChIInChI=1S/C16H15F2N3O2/c1-10(22)21(14-4-2-3-13(17)8-14)9-12-6-5-11(7-15(12)18)16(23)20-19/h2-8H,9,19H2,1H3,(H,20,23)
InChIKeyCGCHZCWFTDZTDC-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.12
Rot. Bonds4

About N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide

N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide (PubChem CID 126544337) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide
PubChem CID126544337
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC NameN-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N(Cc1ccc(C(=O)NN)cc1F)c1cccc(F)c1
InChIInChI=1S/C16H15F2N3O2/c1-10(22)21(14-4-2-3-13(17)8-14)9-12-6-5-11(7-15(12)18)16(23)20-19/h2-8H,9,19H2,1H3,(H,20,23)
InChIKeyCGCHZCWFTDZTDC-UHFFFAOYSA-N
XLogP2.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline
CID 145239497
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)morpholine-4-carboxamide
CID 140894938
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548
methyl 4-[(N-acetyl-3-fluoroanilino)methyl]-3-fluorobenzoate;methyl 3-fluoro-4-[(3-fluoroanilino)methyl]benzoate
CID 161302937
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline
CID 145239468
1,1-di(ethyl)-3-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-3-[3-(trifluoromethoxy)phenyl]urea;osmium(2+)
CID 147862941
N-(3-chlorophenyl)-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140895144
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894690
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-[3-(furan-3-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 140894209
methyl 3-fluoro-4-[[3-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]benzoate;hydrochloride
CID 140894138
1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide
CID 162219998

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide (CID 126544337) is N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide is CC(=O)N(Cc1ccc(C(=O)NN)cc1F)c1cccc(F)c1.
What is the InChIKey of N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is CGCHZCWFTDZTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-10(22)21(14-4-2-3-13(17)8-14)9-12-6-5-11(7-15(12)18)16(23)20-19/h2-8H,9,19H2,1H3,(H,20,23).
What are the key properties of N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide?
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 319.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 126544337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).