4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide

C19H16FNOS — CID 17012063

IUPAC4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(N(Cc2cccs2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FNOS/c1-14-4-10-17(11-5-14)21(13-18-3-2-12-23-18)19(22)15-6-8-16(20)9-7-15/h2-12H,13H2,1H3
InChIKeySSXREXXJPPHHLB-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.04
Rot. Bonds4

About 4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide

4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 17012063) has the molecular formula C19H16FNOS and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID17012063
Molecular FormulaC19H16FNOS
Molecular Weight325.41 g/mol
Exact Mass325.09
IUPAC Name4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(N(Cc2cccs2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FNOS/c1-14-4-10-17(11-5-14)21(13-18-3-2-12-23-18)19(22)15-6-8-16(20)9-7-15/h2-12H,13H2,1H3
InChIKeySSXREXXJPPHHLB-UHFFFAOYSA-N
XLogP5.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17010905
N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17013553
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
2-amino-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39360719
N-(4-fluorophenyl)-2,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55891165
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 35180101
N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
CID 28769273
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
N-(4-fluorophenyl)-2-methyl-3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide
CID 60533765
N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46046244
5-bromo-N-[2-[4-fluoro-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55890788

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide (CID 17012063) is 4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide is Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is SSXREXXJPPHHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNOS/c1-14-4-10-17(11-5-14)21(13-18-3-2-12-23-18)19(22)15-6-8-16(20)9-7-15/h2-12H,13H2,1H3.
What are the key properties of 4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide?
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 325.41 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 17012063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).