5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide

C13H11ClFNOS — CID 9392714

IUPAC5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClFNOS/c14-12-6-5-11(18-12)13(17)16-8-7-9-1-3-10(15)4-2-9/h1-6H,7-8H2,(H,16,17)
InChIKeySBKFYQDMODITCT-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.51
Rot. Bonds4

About 5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide

5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 9392714) has the molecular formula C13H11ClFNOS and a molecular weight of 283.75 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID9392714
Molecular FormulaC13H11ClFNOS
Molecular Weight283.75 g/mol
Exact Mass283.02
IUPAC Name5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClFNOS/c14-12-6-5-11(18-12)13(17)16-8-7-9-1-3-10(15)4-2-9/h1-6H,7-8H2,(H,16,17)
InChIKeySBKFYQDMODITCT-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
CID 18104965
5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 82171998
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 134163038
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 47222257
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
5-chloro-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17173387
4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide
CID 59856937
2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate
CID 169435764
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide (CID 9392714) is 5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is SBKFYQDMODITCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNOS/c14-12-6-5-11(18-12)13(17)16-8-7-9-1-3-10(15)4-2-9/h1-6H,7-8H2,(H,16,17).
What are the key properties of 5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 283.75 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9392714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).