3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide

C15H22FN3O — CID 107458515

IUPAC3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide
SMILESCCCN(Cc1cc(C(=O)NN)ccc1F)CC1CC1
InChIInChI=1S/C15H22FN3O/c1-2-7-19(9-11-3-4-11)10-13-8-12(15(20)18-17)5-6-14(13)16/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20)
InChIKeyDKBBEPGDIDMJKJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.05
Rot. Bonds7

About 3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide

3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide (PubChem CID 107458515) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide
PubChem CID107458515
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide
SMILESCCCN(Cc1cc(C(=O)NN)ccc1F)CC1CC1
InChIInChI=1S/C15H22FN3O/c1-2-7-19(9-11-3-4-11)10-13-8-12(15(20)18-17)5-6-14(13)16/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20)
InChIKeyDKBBEPGDIDMJKJ-UHFFFAOYSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide
CID 107458527
4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide
CID 63583220
3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458388
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458511
2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide
CID 115465420
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
N-[[3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454527
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
4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide
CID 107458463
4-chloro-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79582315
N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine
CID 78820869

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide (CID 107458515) is 3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide is CCCN(Cc1cc(C(=O)NN)ccc1F)CC1CC1.
What is the InChIKey of 3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide?
The InChIKey is DKBBEPGDIDMJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-7-19(9-11-3-4-11)10-13-8-12(15(20)18-17)5-6-14(13)16/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20).
What are the key properties of 3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide?
3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide has a molecular weight of 279.36 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-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107458515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).