N-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide

C19H15BrFNOS — CID 174618903

IUPACN-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide
SMILESCCc1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15BrFNOS/c1-2-16-17(12-3-7-14(20)8-4-12)11-24-19(16)22-18(23)13-5-9-15(21)10-6-13/h3-11H,2H2,1H3,(H,22,23)
InChIKeyYRCHFMIPLZIIDR-UHFFFAOYSA-N
MW404.30 g/mol
LogP6.13
Rot. Bonds4

About N-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide

N-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide (PubChem CID 174618903) has the molecular formula C19H15BrFNOS and a molecular weight of 404.30 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide
PubChem CID174618903
Molecular FormulaC19H15BrFNOS
Molecular Weight404.30 g/mol
Exact Mass403.00
IUPAC NameN-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide
SMILESCCc1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15BrFNOS/c1-2-16-17(12-3-7-14(20)8-4-12)11-24-19(16)22-18(23)13-5-9-15(21)10-6-13/h3-11H,2H2,1H3,(H,22,23)
InChIKeyYRCHFMIPLZIIDR-UHFFFAOYSA-N
XLogP6.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.30
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide (CID 174618903) is N-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide is CCc1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide?
The InChIKey is YRCHFMIPLZIIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFNOS/c1-2-16-17(12-3-7-14(20)8-4-12)11-24-19(16)22-18(23)13-5-9-15(21)10-6-13/h3-11H,2H2,1H3,(H,22,23).
What are the key properties of N-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide?
N-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide has a molecular weight of 404.30 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-3-ethylthiophen-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 174618903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).