N-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide

C19H16FNOS — CID 24819439

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C19H16FNOS/c1-21(13-14-7-9-16(20)10-8-14)19(22)18-17(11-12-23-18)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyVVSLBKHDQSXDPA-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.83
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide (PubChem CID 24819439) has the molecular formula C19H16FNOS and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
PubChem CID24819439
Molecular FormulaC19H16FNOS
Molecular Weight325.41 g/mol
Exact Mass325.09
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C19H16FNOS/c1-21(13-14-7-9-16(20)10-8-14)19(22)18-17(11-12-23-18)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyVVSLBKHDQSXDPA-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide (CID 24819439) is N-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The InChIKey is VVSLBKHDQSXDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNOS/c1-21(13-14-7-9-16(20)10-8-14)19(22)18-17(11-12-23-18)15-5-3-2-4-6-15/h2-12H,13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 24819439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).