N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide

C18H13ClFNOS — CID 58668684

IUPACN-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1-c1ccc(Cl)cc1F
InChIInChI=1S/C18H13ClFNOS/c1-11-8-9-23-17(11)18(22)21-16-5-3-2-4-14(16)13-7-6-12(19)10-15(13)20/h2-10H,1H3,(H,21,22)
InChIKeyQWSRRURMHPSGBT-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.77
Rot. Bonds3

About N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide

N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 58668684) has the molecular formula C18H13ClFNOS and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID58668684
Molecular FormulaC18H13ClFNOS
Molecular Weight345.83 g/mol
Exact Mass345.04
IUPAC NameN-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1-c1ccc(Cl)cc1F
InChIInChI=1S/C18H13ClFNOS/c1-11-8-9-23-17(11)18(22)21-16-5-3-2-4-14(16)13-7-6-12(19)10-15(13)20/h2-10H,1H3,(H,21,22)
InChIKeyQWSRRURMHPSGBT-UHFFFAOYSA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide (CID 58668684) is N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccccc1-c1ccc(Cl)cc1F.
What is the InChIKey of N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is QWSRRURMHPSGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNOS/c1-11-8-9-23-17(11)18(22)21-16-5-3-2-4-14(16)13-7-6-12(19)10-15(13)20/h2-10H,1H3,(H,21,22).
What are the key properties of N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide?
N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 58668684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).