(E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide

C14H11ClFNOS — CID 24608482

IUPAC(E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)s1)NCc1ccccc1F
InChIInChI=1S/C14H11ClFNOS/c15-13-7-5-11(19-13)6-8-14(18)17-9-10-3-1-2-4-12(10)16/h1-8H,9H2,(H,17,18)/b8-6+
InChIKeyCMQJAHAMQNSFIV-SOFGYWHQSA-N
MW295.77 g/mol
LogP3.87
Rot. Bonds4

About (E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide

(E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide (PubChem CID 24608482) has the molecular formula C14H11ClFNOS and a molecular weight of 295.77 g/mol. Its IUPAC name is (E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
PubChem CID24608482
Molecular FormulaC14H11ClFNOS
Molecular Weight295.77 g/mol
Exact Mass295.02
IUPAC Name(E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)s1)NCc1ccccc1F
InChIInChI=1S/C14H11ClFNOS/c15-13-7-5-11(19-13)6-8-14(18)17-9-10-3-1-2-4-12(10)16/h1-8H,9H2,(H,17,18)/b8-6+
InChIKeyCMQJAHAMQNSFIV-SOFGYWHQSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.87
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-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9427455
(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7758290
(E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide
CID 17488534
(E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43394522
(E)-4-[(2-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 43397099
(E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide
CID 115594447
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 8869884
(E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7924760
(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 46553076
(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 9087844
(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 134036355
N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide
CID 36801314

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide (CID 24608482) is (E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide is O=C(/C=C/c1ccc(Cl)s1)NCc1ccccc1F.
What is the InChIKey of (E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide?
The InChIKey is CMQJAHAMQNSFIV-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H11ClFNOS/c15-13-7-5-11(19-13)6-8-14(18)17-9-10-3-1-2-4-12(10)16/h1-8H,9H2,(H,17,18)/b8-6+.
What are the key properties of (E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide?
(E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide has a molecular weight of 295.77 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 24608482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).