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

C20H18FNOS — CID 35180799

IUPACN-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESCCc1ccc(N(Cc2cccs2)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C20H18FNOS/c1-2-15-9-11-16(12-10-15)22(14-17-6-5-13-24-17)20(23)18-7-3-4-8-19(18)21/h3-13H,2,14H2,1H3
InChIKeyPCXWYVMGTNBKBZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.30
Rot. Bonds5

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

N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 35180799) has the molecular formula C20H18FNOS and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID35180799
Molecular FormulaC20H18FNOS
Molecular Weight339.44 g/mol
Exact Mass339.11
IUPAC NameN-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESCCc1ccc(N(Cc2cccs2)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C20H18FNOS/c1-2-15-9-11-16(12-10-15)22(14-17-6-5-13-24-17)20(23)18-7-3-4-8-19(18)21/h3-13H,2,14H2,1H3
InChIKeyPCXWYVMGTNBKBZ-UHFFFAOYSA-N
XLogP5.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 35180793
N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 35180101
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837
N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17010905
N-(4-fluorophenyl)-2,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55891165
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-2-fluorobenzamide
CID 1059513
2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)benzamide
CID 835182
N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17013288
2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62660536
ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide (CID 35180799) is N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide is CCc1ccc(N(Cc2cccs2)C(=O)c2ccccc2F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is PCXWYVMGTNBKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNOS/c1-2-15-9-11-16(12-10-15)22(14-17-6-5-13-24-17)20(23)18-7-3-4-8-19(18)21/h3-13H,2,14H2,1H3.
What are the key properties of N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 35180799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).