2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

C19H15BrFNOS — CID 41442459

IUPAC2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C19H15BrFNOS/c20-15-7-3-13(4-8-15)12-18(23)22-19(17-2-1-11-24-17)14-5-9-16(21)10-6-14/h1-11,19H,12H2,(H,22,23)/t19-/m1/s1
InChIKeyCELQWRFRQRFRHE-LJQANCHMSA-N
MW404.30 g/mol
LogP5.10
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 41442459) has the molecular formula C19H15BrFNOS and a molecular weight of 404.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID41442459
Molecular FormulaC19H15BrFNOS
Molecular Weight404.30 g/mol
Exact Mass403.00
IUPAC Name2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C19H15BrFNOS/c20-15-7-3-13(4-8-15)12-18(23)22-19(17-2-1-11-24-17)14-5-9-16(21)10-6-14/h1-11,19H,12H2,(H,22,23)/t19-/m1/s1
InChIKeyCELQWRFRQRFRHE-LJQANCHMSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.30
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 41442459) is 2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is O=C(Cc1ccc(Br)cc1)N[C@H](c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is CELQWRFRQRFRHE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15BrFNOS/c20-15-7-3-13(4-8-15)12-18(23)22-19(17-2-1-11-24-17)14-5-9-16(21)10-6-14/h1-11,19H,12H2,(H,22,23)/t19-/m1/s1.
What are the key properties of 2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 404.30 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 41442459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).