3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide

C14H18FN3O2 — CID 9417640

IUPAC3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide
SMILESCN(C)CCC(=O)NNC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c1-18(2)10-9-14(20)17-16-13(19)8-5-11-3-6-12(15)7-4-11/h3-8H,9-10H2,1-2H3,(H,16,19)(H,17,20)/b8-5+
InChIKeyPKNBFWQMISJREU-VMPITWQZSA-N
MW279.32 g/mol
LogP0.94
Rot. Bonds5

About 3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide

3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide (PubChem CID 9417640) has the molecular formula C14H18FN3O2 and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide.

Molecular Properties

Compound Name3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide
PubChem CID9417640
Molecular FormulaC14H18FN3O2
Molecular Weight279.32 g/mol
Exact Mass279.14
IUPAC Name3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide
SMILESCN(C)CCC(=O)NNC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c1-18(2)10-9-14(20)17-16-13(19)8-5-11-3-6-12(15)7-4-11/h3-8H,9-10H2,1-2H3,(H,16,19)(H,17,20)/b8-5+
InChIKeyPKNBFWQMISJREU-VMPITWQZSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide
CID 923626
N-benzyl-4-[2-[3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide
CID 3414927
3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide
CID 4294808
1-tert-butyl-3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]thiourea
CID 9425511
(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 6143200
ethyl 4-[2-[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 6233983
(E)-3-[4-(azepan-1-yl)phenyl]-N'-[2-(4-fluorophenyl)acetyl]prop-2-enehydrazide
CID 9161760
3-(4-fluorophenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide
CID 3474570
(E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide
CID 923522
(E)-3-(4-fluorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 771161
(E)-3-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9299970
propyl 4-[2-[2-[3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927758

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide?
The IUPAC name of 3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide (CID 9417640) is 3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide.
What is the SMILES notation for 3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide?
The canonical SMILES for 3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide is CN(C)CCC(=O)NNC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of 3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide?
The InChIKey is PKNBFWQMISJREU-VMPITWQZSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-18(2)10-9-14(20)17-16-13(19)8-5-11-3-6-12(15)7-4-11/h3-8H,9-10H2,1-2H3,(H,16,19)(H,17,20)/b8-5+.
What are the key properties of 3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide?
3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide has a molecular weight of 279.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]propanehydrazide is sourced from PubChem (CID 9417640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).