(Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide

C18H15F2N3O — CID 108852087

IUPAC(Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide
SMILESN#C/C(=C/NCCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15F2N3O/c19-15-4-6-17(7-5-15)23-18(24)14(11-21)12-22-9-8-13-2-1-3-16(20)10-13/h1-7,10,12,22H,8-9H2,(H,23,24)/b14-12-
InChIKeyHBQITFVBJWJGKC-OWBHPGMISA-N
MW327.33 g/mol
LogP3.14
Rot. Bonds6

About (Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide

(Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide (PubChem CID 108852087) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is (Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide
PubChem CID108852087
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name(Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide
SMILESN#C/C(=C/NCCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15F2N3O/c19-15-4-6-17(7-5-15)23-18(24)14(11-21)12-22-9-8-13-2-1-3-16(20)10-13/h1-7,10,12,22H,8-9H2,(H,23,24)/b14-12-
InChIKeyHBQITFVBJWJGKC-OWBHPGMISA-N
XLogP3.14
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(benzylamino)-N-(4-fluorophenyl)acetamide
CID 670654
(2E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide
CID 727131
N-(2-Fluorophenyl)Cinnamamide
CID 875024
2-(4-(4-fluorophenyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)-N-phenethylacetamide
CID 16017731
2-[(4-anilino-5-cyano-6-oxo-1H-pyridin-3-yl)methylidene]propanedinitrile
CID 1208269
(E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-phenylprop-2-enenitrile
CID 2373103
1-[3-(Methylamino)propyl]-2-oxo-4-phenylquinoline-3-carbonitrile
CID 23332845
(2E)-N-(3-fluorophenyl)-3-phenyl-2-propenamide
CID 727184
(2E)-N-benzyl-2-cyano-3-[4-(diethylamino)phenyl]acrylamide
CID 685554
(2E,4E)-2-cyano-N,5-diphenylpenta-2,4-dienamide
CID 765887
(E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 2365263
N-benzyl-2-cyano-3-(4-acetamidophenyl)prop-2-enamide
CID 2382424

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide (CID 108852087) is (Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide is N#C/C(=C/NCCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide?
The InChIKey is HBQITFVBJWJGKC-OWBHPGMISA-N. The full InChI is InChI=1S/C18H15F2N3O/c19-15-4-6-17(7-5-15)23-18(24)14(11-21)12-22-9-8-13-2-1-3-16(20)10-13/h1-7,10,12,22H,8-9H2,(H,23,24)/b14-12-.
What are the key properties of (Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide?
(Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide has a molecular weight of 327.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(4-fluorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide is sourced from PubChem (CID 108852087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).