4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane

C14H15ClFNOS — CID 144538904

IUPAC4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane
SMILESCC.O=C(NCc1cccc(F)c1)c1cc(Cl)cs1
InChIInChI=1S/C12H9ClFNOS.C2H6/c13-9-5-11(17-7-9)12(16)15-6-8-2-1-3-10(14)4-8;1-2/h1-5,7H,6H2,(H,15,16);1-2H3
InChIKeyCQPIYLMIXFRYLK-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.50
Rot. Bonds3

About 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane

4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane (PubChem CID 144538904) has the molecular formula C14H15ClFNOS and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane.

Molecular Properties

Compound Name4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane
PubChem CID144538904
Molecular FormulaC14H15ClFNOS
Molecular Weight299.80 g/mol
Exact Mass299.05
IUPAC Name4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane
SMILESCC.O=C(NCc1cccc(F)c1)c1cc(Cl)cs1
InChIInChI=1S/C12H9ClFNOS.C2H6/c13-9-5-11(17-7-9)12(16)15-6-8-2-1-3-10(14)4-8;1-2/h1-5,7H,6H2,(H,15,16);1-2H3
InChIKeyCQPIYLMIXFRYLK-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
CID 144538905
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954
4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 82795367
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide
CID 53283727
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 79465874
N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide
CID 113268545

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane?
The IUPAC name of 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane (CID 144538904) is 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane.
What is the SMILES notation for 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane?
The canonical SMILES for 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane is CC.O=C(NCc1cccc(F)c1)c1cc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane?
The InChIKey is CQPIYLMIXFRYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS.C2H6/c13-9-5-11(17-7-9)12(16)15-6-8-2-1-3-10(14)4-8;1-2/h1-5,7H,6H2,(H,15,16);1-2H3.
What are the key properties of 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane?
4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane has a molecular weight of 299.80 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane is sourced from PubChem (CID 144538904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).