3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline

C18H19F2N3 — CID 145239497

IUPAC3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline
SMILESC=C(NN)c1ccc(CN(C(=C)C)c2cccc(F)c2)c(F)c1
InChIInChI=1S/C18H19F2N3/c1-12(2)23(17-6-4-5-16(19)10-17)11-15-8-7-14(9-18(15)20)13(3)22-21/h4-10,22H,1,3,11,21H2,2H3
InChIKeyGYJYAPSRLGEUDE-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.94
Rot. Bonds6

About 3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline

3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline (PubChem CID 145239497) has the molecular formula C18H19F2N3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline
PubChem CID145239497
Molecular FormulaC18H19F2N3
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline
SMILESC=C(NN)c1ccc(CN(C(=C)C)c2cccc(F)c2)c(F)c1
InChIInChI=1S/C18H19F2N3/c1-12(2)23(17-6-4-5-16(19)10-17)11-15-8-7-14(9-18(15)20)13(3)22-21/h4-10,22H,1,3,11,21H2,2H3
InChIKeyGYJYAPSRLGEUDE-UHFFFAOYSA-N
XLogP3.94
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline
CID 145239468
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide
CID 126544337
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)morpholine-4-carboxamide
CID 140894938
methyl 4-[(N-acetyl-3-fluoroanilino)methyl]-3-fluorobenzoate;methyl 3-fluoro-4-[(3-fluoroanilino)methyl]benzoate
CID 161302937
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548
methyl 3-fluoro-4-[[3-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]benzoate;hydrochloride
CID 140894138
tert-butyl 4-[(2-fluoro-4-methoxycarbonylphenyl)methyl-(3-fluorophenyl)carbamoyl]piperazine-1-carboxylate
CID 140894958
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
1,1-di(ethyl)-3-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-3-[3-(trifluoromethoxy)phenyl]urea;osmium(2+)
CID 147862941
N-(3-chlorophenyl)-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140895144
N-(3-fluorophenyl)-N-[[2-fluoro-4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]methanesulfonamide
CID 126507841
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-[3-(furan-3-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 140894209

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline?
The IUPAC name of 3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline (CID 145239497) is 3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline.
What is the SMILES notation for 3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline?
The canonical SMILES for 3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline is C=C(NN)c1ccc(CN(C(=C)C)c2cccc(F)c2)c(F)c1.
What is the InChIKey of 3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline?
The InChIKey is GYJYAPSRLGEUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3/c1-12(2)23(17-6-4-5-16(19)10-17)11-15-8-7-14(9-18(15)20)13(3)22-21/h4-10,22H,1,3,11,21H2,2H3.
What are the key properties of 3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline?
3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline has a molecular weight of 315.37 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-prop-1-en-2-ylaniline is sourced from PubChem (CID 145239497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).