(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide

C13H9ClFNOS — CID 22306140

IUPAC(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C\c1cccs1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H9ClFNOS/c14-9-3-5-12(11(15)8-9)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4-
InChIKeyZCYTZMMYJJQIOS-XQRVVYSFSA-N
MW281.74 g/mol
LogP4.19
Rot. Bonds3

About (Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide

(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 22306140) has the molecular formula C13H9ClFNOS and a molecular weight of 281.74 g/mol. Its IUPAC name is (Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID22306140
Molecular FormulaC13H9ClFNOS
Molecular Weight281.74 g/mol
Exact Mass281.01
IUPAC Name(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C\c1cccs1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H9ClFNOS/c14-9-3-5-12(11(15)8-9)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4-
InChIKeyZCYTZMMYJJQIOS-XQRVVYSFSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.19
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

(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 16546991
(E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 55336540
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 4181979
N-(3-amino-4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 76932979
(E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 2101513
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
(E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 36681573
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
(E)-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 6234868
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 4927312
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide (CID 22306140) is (Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C\c1cccs1)Nc1ccc(Cl)cc1F.
What is the InChIKey of (Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is ZCYTZMMYJJQIOS-XQRVVYSFSA-N. The full InChI is InChI=1S/C13H9ClFNOS/c14-9-3-5-12(11(15)8-9)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4-.
What are the key properties of (Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide?
(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 281.74 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 22306140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).