3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide

C20H17ClFNO2S — CID 126676533

IUPAC3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1cc(O)c(-c2cc(C(=O)N(C)Cc3cccs3)ccc2F)cc1Cl
InChIInChI=1S/C20H17ClFNO2S/c1-12-8-19(24)16(10-17(12)21)15-9-13(5-6-18(15)22)20(25)23(2)11-14-4-3-7-26-14/h3-10,24H,11H2,1-2H3
InChIKeyUATQZCAAKDXBQB-UHFFFAOYSA-N
MW389.88 g/mol
LogP5.49
Rot. Bonds4

About 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide

3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 126676533) has the molecular formula C20H17ClFNO2S and a molecular weight of 389.88 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID126676533
Molecular FormulaC20H17ClFNO2S
Molecular Weight389.88 g/mol
Exact Mass389.07
IUPAC Name3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1cc(O)c(-c2cc(C(=O)N(C)Cc3cccs3)ccc2F)cc1Cl
InChIInChI=1S/C20H17ClFNO2S/c1-12-8-19(24)16(10-17(12)21)15-9-13(5-6-18(15)22)20(25)23(2)11-14-4-3-7-26-14/h3-10,24H,11H2,1-2H3
InChIKeyUATQZCAAKDXBQB-UHFFFAOYSA-N
XLogP5.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.88
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 82781483
3-hydroxy-N-methyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 18114264
N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide
CID 126677135
N,2,3-trimethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 51205761
4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 103829573
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 78783876
4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527196
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide
CID 7779935
N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 26558416

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 126676533) is 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide is Cc1cc(O)c(-c2cc(C(=O)N(C)Cc3cccs3)ccc2F)cc1Cl.
What is the InChIKey of 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is UATQZCAAKDXBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO2S/c1-12-8-19(24)16(10-17(12)21)15-9-13(5-6-18(15)22)20(25)23(2)11-14-4-3-7-26-14/h3-10,24H,11H2,1-2H3.
What are the key properties of 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 389.88 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 126676533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).