N-(4-fluorophenyl)-N-methylthiophene-2-carboxamide

C12H10FNOS — CID 61062806

IUPACN-(4-fluorophenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C12H10FNOS/c1-14(10-6-4-9(13)5-7-10)12(15)11-3-2-8-16-11/h2-8H,1H3
InChIKeyVMECTSVCPCULCM-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.16
Rot. Bonds2

About N-(4-fluorophenyl)-N-methylthiophene-2-carboxamide

N-(4-fluorophenyl)-N-methylthiophene-2-carboxamide (PubChem CID 61062806) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methylthiophene-2-carboxamide
PubChem CID61062806
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC NameN-(4-fluorophenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C12H10FNOS/c1-14(10-6-4-9(13)5-7-10)12(15)11-3-2-8-16-11/h2-8H,1H3
InChIKeyVMECTSVCPCULCM-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-methylthiophene-2-carboxamide (CID 61062806) is N-(4-fluorophenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methylthiophene-2-carboxamide is CN(C(=O)c1cccs1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is VMECTSVCPCULCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-14(10-6-4-9(13)5-7-10)12(15)11-3-2-8-16-11/h2-8H,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methylthiophene-2-carboxamide?
N-(4-fluorophenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 61062806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).