N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide

C14H13ClFNOS — CID 4851613

IUPACN-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccc(F)c(Cl)c2)cc1C
InChIInChI=1S/C14H13ClFNOS/c1-3-12-8(2)6-13(19-12)14(18)17-9-4-5-11(16)10(15)7-9/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyHGKDHCQHRFYFBH-UHFFFAOYSA-N
MW297.78 g/mol
LogP4.66
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 4851613) has the molecular formula C14H13ClFNOS and a molecular weight of 297.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID4851613
Molecular FormulaC14H13ClFNOS
Molecular Weight297.78 g/mol
Exact Mass297.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccc(F)c(Cl)c2)cc1C
InChIInChI=1S/C14H13ClFNOS/c1-3-12-8(2)6-13(19-12)14(18)17-9-4-5-11(16)10(15)7-9/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyHGKDHCQHRFYFBH-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide (CID 4851613) is N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2ccc(F)c(Cl)c2)cc1C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is HGKDHCQHRFYFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNOS/c1-3-12-8(2)6-13(19-12)14(18)17-9-4-5-11(16)10(15)7-9/h4-7H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 297.78 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 4851613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).