3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide

C15H22FN3O — CID 107458520

IUPAC3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide
SMILESCC(C)CN(Cc1cc(C(=O)NN)ccc1F)C1CC1
InChIInChI=1S/C15H22FN3O/c1-10(2)8-19(13-4-5-13)9-12-7-11(15(20)18-17)3-6-14(12)16/h3,6-7,10,13H,4-5,8-9,17H2,1-2H3,(H,18,20)
InChIKeyKHFOBUPKPNXLSD-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.05
Rot. Bonds6

About 3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide

3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide (PubChem CID 107458520) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide
PubChem CID107458520
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide
SMILESCC(C)CN(Cc1cc(C(=O)NN)ccc1F)C1CC1
InChIInChI=1S/C15H22FN3O/c1-10(2)8-19(13-4-5-13)9-12-7-11(15(20)18-17)3-6-14(12)16/h3,6-7,10,13H,4-5,8-9,17H2,1-2H3,(H,18,20)
InChIKeyKHFOBUPKPNXLSD-UHFFFAOYSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
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-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide
CID 107458416
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-fluorobenzohydrazide
CID 107458448
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
methyl 3-bromo-4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoate
CID 102767376
3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458515
4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide
CID 107458463
3-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
CID 63073825
3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458423
4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride
CID 138805610
3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 61107794
1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55002178
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458511

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide (CID 107458520) is 3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide is CC(C)CN(Cc1cc(C(=O)NN)ccc1F)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide?
The InChIKey is KHFOBUPKPNXLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10(2)8-19(13-4-5-13)9-12-7-11(15(20)18-17)3-6-14(12)16/h3,6-7,10,13H,4-5,8-9,17H2,1-2H3,(H,18,20).
What are the key properties of 3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide?
3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide has a molecular weight of 279.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107458520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).