4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide

C15H15F2N3O — CID 107458548

IUPAC4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
SMILESCN(Cc1cc(C(=O)NN)ccc1F)c1cccc(F)c1
InChIInChI=1S/C15H15F2N3O/c1-20(13-4-2-3-12(16)8-13)9-11-7-10(15(21)19-18)5-6-14(11)17/h2-8H,9,18H2,1H3,(H,19,21)
InChIKeyVYGSIMCPFIPJHU-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.20
Rot. Bonds4

About 4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide

4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide (PubChem CID 107458548) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
PubChem CID107458548
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
SMILESCN(Cc1cc(C(=O)NN)ccc1F)c1cccc(F)c1
InChIInChI=1S/C15H15F2N3O/c1-20(13-4-2-3-12(16)8-13)9-11-7-10(15(21)19-18)5-6-14(11)17/h2-8H,9,18H2,1H3,(H,19,21)
InChIKeyVYGSIMCPFIPJHU-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.20
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

N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide
CID 126544337
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63583474
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63583297
4-[(3-fluoro-N-methylanilino)methyl]-3-methylbenzoic acid
CID 114485468
2-[ethyl-[[2-fluoro-5-(hydrazinecarbonyl)phenyl]methyl]amino]-N,N-dimethylacetamide
CID 107458547
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide
CID 107458562
methyl 2-[(3-fluoro-N-methylanilino)methyl]benzoate
CID 82969804
3-[(3-cyano-N-methylanilino)methyl]-4-fluorobenzoic acid
CID 107452261
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
CID 79631069
4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide
CID 107458416

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide (CID 107458548) is 4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide is CN(Cc1cc(C(=O)NN)ccc1F)c1cccc(F)c1.
What is the InChIKey of 4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide?
The InChIKey is VYGSIMCPFIPJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-20(13-4-2-3-12(16)8-13)9-11-7-10(15(21)19-18)5-6-14(11)17/h2-8H,9,18H2,1H3,(H,19,21).
What are the key properties of 4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide?
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide has a molecular weight of 291.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide is sourced from PubChem (CID 107458548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).