N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide

C15H16FNOS — CID 78771151

IUPACN-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(F)cc2)sc1C
InChIInChI=1S/C15H16FNOS/c1-10-8-14(19-11(10)2)15(18)17(3)9-12-4-6-13(16)7-5-12/h4-8H,9H2,1-3H3
InChIKeyAGVMCDVMMLZMBG-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.78
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide

N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide (PubChem CID 78771151) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
PubChem CID78771151
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC NameN-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(F)cc2)sc1C
InChIInChI=1S/C15H16FNOS/c1-10-8-14(19-11(10)2)15(18)17(3)9-12-4-6-13(16)7-5-12/h4-8H,9H2,1-3H3
InChIKeyAGVMCDVMMLZMBG-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9396355
N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112792541
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79930066
N-[(3-carbamothioylphenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 65239101
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79959540
N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 60630938
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide (CID 78771151) is N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide is Cc1cc(C(=O)N(C)Cc2ccc(F)cc2)sc1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide?
The InChIKey is AGVMCDVMMLZMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-10-8-14(19-11(10)2)15(18)17(3)9-12-4-6-13(16)7-5-12/h4-8H,9H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 3.78, 3 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,4,5-trimethylthiophene-2-carboxamide is sourced from PubChem (CID 78771151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).