2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide

C13H10Cl2FNOS — CID 78812511

IUPAC2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H10Cl2FNOS/c14-11-7-10(12(15)19-11)13(18)17-5-4-8-2-1-3-9(16)6-8/h1-3,6-7H,4-5H2,(H,17,18)
InChIKeyIYVYTIKARXVDOA-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.17
Rot. Bonds4

About 2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide

2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide (PubChem CID 78812511) has the molecular formula C13H10Cl2FNOS and a molecular weight of 318.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide
PubChem CID78812511
Molecular FormulaC13H10Cl2FNOS
Molecular Weight318.20 g/mol
Exact Mass316.98
IUPAC Name2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H10Cl2FNOS/c14-11-7-10(12(15)19-11)13(18)17-5-4-8-2-1-3-9(16)6-8/h1-3,6-7H,4-5H2,(H,17,18)
InChIKeyIYVYTIKARXVDOA-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115930156
2-amino-3-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115540075
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
3-chloro-N-[2-(3-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62242329
4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81226046
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 31799254
2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide
CID 78816219

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide (CID 78812511) is 2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide is O=C(NCCc1cccc(F)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is IYVYTIKARXVDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNOS/c14-11-7-10(12(15)19-11)13(18)17-5-4-8-2-1-3-9(16)6-8/h1-3,6-7H,4-5H2,(H,17,18).
What are the key properties of 2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide?
2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide has a molecular weight of 318.20 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 78812511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).