4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide

C14H22FN3O — CID 107458416

IUPAC4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide
SMILESCCC(C)CN(C)Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C14H22FN3O/c1-4-10(2)8-18(3)9-12-7-11(14(19)17-16)5-6-13(12)15/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyIFCDMIKYOYRGJD-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.91
Rot. Bonds6

About 4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide

4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide (PubChem CID 107458416) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide
PubChem CID107458416
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide
SMILESCCC(C)CN(C)Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C14H22FN3O/c1-4-10(2)8-18(3)9-12-7-11(14(19)17-16)5-6-13(12)15/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyIFCDMIKYOYRGJD-UHFFFAOYSA-N
XLogP1.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.91
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-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide
CID 107458562
3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458520
2-[ethyl-[[2-fluoro-5-(hydrazinecarbonyl)phenyl]methyl]amino]-N,N-dimethylacetamide
CID 107458547
3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458423
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107454209
3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458388
4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide
CID 107458527
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548
4-fluoro-3-[[methyl(2-methylpropyl)amino]methyl]benzenecarbothioamide
CID 43272120
4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide
CID 107458142
4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide
CID 63583693

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide (CID 107458416) is 4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide is CCC(C)CN(C)Cc1cc(C(=O)NN)ccc1F.
What is the InChIKey of 4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide?
The InChIKey is IFCDMIKYOYRGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-10(2)8-18(3)9-12-7-11(14(19)17-16)5-6-13(12)15/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide?
4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide has a molecular weight of 267.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 107458416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).