(E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride

C16H16ClFN2 — CID 69118649

IUPAC(E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride
SMILESCl.NC(/C=C/c1ccccc1)=N\Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN2.ClH/c17-15-9-6-14(7-10-15)12-19-16(18)11-8-13-4-2-1-3-5-13;/h1-11H,12H2,(H2,18,19);1H/b11-8+;
InChIKeyYKTVIKWPNWUINL-YGCVIUNWSA-N
MW290.77 g/mol
LogP3.82
Rot. Bonds4

About (E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride

(E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride (PubChem CID 69118649) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is (E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride.

Molecular Properties

Compound Name(E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride
PubChem CID69118649
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name(E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride
SMILESCl.NC(/C=C/c1ccccc1)=N\Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN2.ClH/c17-15-9-6-14(7-10-15)12-19-16(18)11-8-13-4-2-1-3-5-13;/h1-11H,12H2,(H2,18,19);1H/b11-8+;
InChIKeyYKTVIKWPNWUINL-YGCVIUNWSA-N
XLogP3.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-butyl-3-phenylprop-2-enimidamide;hydrochloride
CID 69131247
(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine
CID 102344328
(E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 17292721
(E)-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 60559458
(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide
CID 59789908
2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine
CID 62363934
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
(Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide
CID 142915800
1,5-diphenylpenta-1,4-dien-3-ylidenehydrazine
CID 154293202
2-ethylguanidine;fluorobenzene;hydrochloride
CID 175305012
2-benzyl-1-(2,5-difluorophenyl)guanidine
CID 130567646
(E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide
CID 923626

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride?
The IUPAC name of (E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride (CID 69118649) is (E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride.
What is the SMILES notation for (E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride?
The canonical SMILES for (E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride is Cl.NC(/C=C/c1ccccc1)=N\Cc1ccc(F)cc1.
What is the InChIKey of (E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride?
The InChIKey is YKTVIKWPNWUINL-YGCVIUNWSA-N. The full InChI is InChI=1S/C16H15FN2.ClH/c17-15-9-6-14(7-10-15)12-19-16(18)11-8-13-4-2-1-3-5-13;/h1-11H,12H2,(H2,18,19);1H/b11-8+;.
What are the key properties of (E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride?
(E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(4-fluorophenyl)methyl]-3-phenylprop-2-enimidamide;hydrochloride is sourced from PubChem (CID 69118649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).