(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide

C16H11FN2O — CID 26289833

IUPAC(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESN#Cc1ccc(NC(=O)/C=C/c2ccccc2F)cc1
InChIInChI=1S/C16H11FN2O/c17-15-4-2-1-3-13(15)7-10-16(20)19-14-8-5-12(11-18)6-9-14/h1-10H,(H,19,20)/b10-7+
InChIKeyVRZPEXMMKQSPQU-JXMROGBWSA-N
MW266.28 g/mol
LogP3.35
Rot. Bonds3

About (E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide

(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 26289833) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is (E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
PubChem CID26289833
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESN#Cc1ccc(NC(=O)/C=C/c2ccccc2F)cc1
InChIInChI=1S/C16H11FN2O/c17-15-4-2-1-3-13(15)7-10-16(20)19-14-8-5-12(11-18)6-9-14/h1-10H,(H,19,20)/b10-7+
InChIKeyVRZPEXMMKQSPQU-JXMROGBWSA-N
XLogP3.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 7914871
(E)-3-(2-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide
CID 8762219
3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 71904483
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide
CID 19659771
(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
(E)-3-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 30857317
(E)-N-(4-cyanophenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 26701108
(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8713833
(4-cyanophenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 2613119

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide (CID 26289833) is (E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide is N#Cc1ccc(NC(=O)/C=C/c2ccccc2F)cc1.
What is the InChIKey of (E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is VRZPEXMMKQSPQU-JXMROGBWSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-15-4-2-1-3-13(15)7-10-16(20)19-14-8-5-12(11-18)6-9-14/h1-10H,(H,19,20)/b10-7+.
What are the key properties of (E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 266.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 26289833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).