(E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide

C19H13ClFNOS — CID 2338665

IUPAC(E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide
SMILESO=C(Nc1ccc(Cl)cc1)/C(=C/c1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C19H13ClFNOS/c20-15-3-7-17(8-4-15)22-19(23)18(14-9-10-24-12-14)11-13-1-5-16(21)6-2-13/h1-12H,(H,22,23)/b18-11+
InChIKeyNHDDFSIHCUQQEV-WOJGMQOQSA-N
MW357.84 g/mol
LogP5.72
Rot. Bonds4

About (E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide

(E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide (PubChem CID 2338665) has the molecular formula C19H13ClFNOS and a molecular weight of 357.84 g/mol. Its IUPAC name is (E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide
PubChem CID2338665
Molecular FormulaC19H13ClFNOS
Molecular Weight357.84 g/mol
Exact Mass357.04
IUPAC Name(E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide
SMILESO=C(Nc1ccc(Cl)cc1)/C(=C/c1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C19H13ClFNOS/c20-15-3-7-17(8-4-15)22-19(23)18(14-9-10-24-12-14)11-13-1-5-16(21)6-2-13/h1-12H,(H,22,23)/b18-11+
InChIKeyNHDDFSIHCUQQEV-WOJGMQOQSA-N
XLogP5.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.72
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-[(Z)-1-(4-chlorophenyl)-3-(4-fluoroanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 53329743
3-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-2-thiophen-3-ylprop-2-en-1-one
CID 4604047
(E)-3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)-2-(4-fluorophenyl)prop-2-enamide
CID 2332079
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
1-(4-chlorophenyl)-3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]thiourea
CID 9469163
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide
CID 87895075
(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide
CID 30268790
(Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide
CID 2328970
(E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide
CID 2328969
(E)-3-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylprop-2-enoic acid
CID 16633924
N-[(4-chlorophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
CID 920811

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide (CID 2338665) is (E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide is O=C(Nc1ccc(Cl)cc1)/C(=C/c1ccc(F)cc1)c1ccsc1.
What is the InChIKey of (E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide?
The InChIKey is NHDDFSIHCUQQEV-WOJGMQOQSA-N. The full InChI is InChI=1S/C19H13ClFNOS/c20-15-3-7-17(8-4-15)22-19(23)18(14-9-10-24-12-14)11-13-1-5-16(21)6-2-13/h1-12H,(H,22,23)/b18-11+.
What are the key properties of (E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide?
(E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide has a molecular weight of 357.84 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 2338665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).