2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide

C11H8ClFN2OS — CID 129219575

IUPAC2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(Cl)c2)csc1N
InChIInChI=1S/C11H8ClFN2OS/c12-7-3-5(1-2-8(7)13)6-4-17-11(15)9(6)10(14)16/h1-4H,15H2,(H2,14,16)
InChIKeyAAUWIDCRJKTJHI-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.89
Rot. Bonds2

About 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide

2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide (PubChem CID 129219575) has the molecular formula C11H8ClFN2OS and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide
PubChem CID129219575
Molecular FormulaC11H8ClFN2OS
Molecular Weight270.72 g/mol
Exact Mass270.00
IUPAC Name2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(Cl)c2)csc1N
InChIInChI=1S/C11H8ClFN2OS/c12-7-3-5(1-2-8(7)13)6-4-17-11(15)9(6)10(14)16/h1-4H,15H2,(H2,14,16)
InChIKeyAAUWIDCRJKTJHI-UHFFFAOYSA-N
XLogP2.89
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide?
The IUPAC name of 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide (CID 129219575) is 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide is NC(=O)c1c(-c2ccc(F)c(Cl)c2)csc1N.
What is the InChIKey of 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide?
The InChIKey is AAUWIDCRJKTJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2OS/c12-7-3-5(1-2-8(7)13)6-4-17-11(15)9(6)10(14)16/h1-4H,15H2,(H2,14,16).
What are the key properties of 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide?
2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chloro-4-fluorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 129219575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).