3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide

C14H22FN3O — CID 107458388

IUPAC3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide
SMILESCCCCN(CC)Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C14H22FN3O/c1-3-5-8-18(4-2)10-12-9-11(14(19)17-16)6-7-13(12)15/h6-7,9H,3-5,8,10,16H2,1-2H3,(H,17,19)
InChIKeyBFGSVHXTMCNVGT-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.05
Rot. Bonds7

About 3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide

3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide (PubChem CID 107458388) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide
PubChem CID107458388
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide
SMILESCCCCN(CC)Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C14H22FN3O/c1-3-5-8-18(4-2)10-12-9-11(14(19)17-16)6-7-13(12)15/h6-7,9H,3-5,8,10,16H2,1-2H3,(H,17,19)
InChIKeyBFGSVHXTMCNVGT-UHFFFAOYSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.05
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

4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide
CID 107458527
2-[ethyl-[[2-fluoro-5-(hydrazinecarbonyl)phenyl]methyl]amino]-N,N-dimethylacetamide
CID 107458547
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458515
3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458423
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458511
4-fluoro-3-(heptoxymethyl)benzohydrazide
CID 107458143
2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351648
4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide
CID 107458416
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine
CID 114011928
4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide
CID 107458142
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide (CID 107458388) is 3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide is CCCCN(CC)Cc1cc(C(=O)NN)ccc1F.
What is the InChIKey of 3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide?
The InChIKey is BFGSVHXTMCNVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-3-5-8-18(4-2)10-12-9-11(14(19)17-16)6-7-13(12)15/h6-7,9H,3-5,8,10,16H2,1-2H3,(H,17,19).
What are the key properties of 3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide?
3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide has a molecular weight of 267.35 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107458388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).