(Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide

C22H15FN2O2 — CID 124656696

IUPAC(Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
SMILESN#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H15FN2O2/c23-20-11-4-5-12-21(20)25-22(26)17(15-24)13-16-7-6-10-19(14-16)27-18-8-2-1-3-9-18/h1-14H,(H,25,26)/b17-13-
InChIKeyYGOKWVLTBSEIKL-LGMDPLHJSA-N
MW358.37 g/mol
LogP5.16
Rot. Bonds5

About (Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide

(Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide (PubChem CID 124656696) has the molecular formula C22H15FN2O2 and a molecular weight of 358.37 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
PubChem CID124656696
Molecular FormulaC22H15FN2O2
Molecular Weight358.37 g/mol
Exact Mass358.11
IUPAC Name(Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
SMILESN#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H15FN2O2/c23-20-11-4-5-12-21(20)25-22(26)17(15-24)13-16-7-6-10-19(14-16)27-18-8-2-1-3-9-18/h1-14H,(H,25,26)/b17-13-
InChIKeyYGOKWVLTBSEIKL-LGMDPLHJSA-N
XLogP5.16
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 7480752
4-[[(Z)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 1280016
(Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 94841572
(Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide
CID 2477044
2-cyano-3-(3,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 78575259
2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
CID 3559677
(Z)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
CID 20834830
2-cyano-3-[3-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]-N-(4-methylphenyl)prop-2-enamide
CID 5041336
(E)-2-benzoyl-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 110191204
(Z)-2-cyano-3-(2-fluoroanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849665
(Z)-2-cyano-N-(2-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 124661262
2-cyano-3-(3-fluorophenyl)-N-phenylprop-2-enamide
CID 4136731

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide (CID 124656696) is (Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide is N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1F.
What is the InChIKey of (Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The InChIKey is YGOKWVLTBSEIKL-LGMDPLHJSA-N. The full InChI is InChI=1S/C22H15FN2O2/c23-20-11-4-5-12-21(20)25-22(26)17(15-24)13-16-7-6-10-19(14-16)27-18-8-2-1-3-9-18/h1-14H,(H,25,26)/b17-13-.
What are the key properties of (Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
(Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide has a molecular weight of 358.37 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 124656696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).