(2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide

C20H21BrFNO3 — CID 149114251

IUPAC(2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide
SMILESO=C(Cc1ccc(Br)cc1F)C[C@@H](Cc1ccccc1)C(=O)NCCO
InChIInChI=1S/C20H21BrFNO3/c21-17-7-6-15(19(22)13-17)11-18(25)12-16(20(26)23-8-9-24)10-14-4-2-1-3-5-14/h1-7,13,16,24H,8-12H2,(H,23,26)/t16-/m1/s1
InChIKeyQXYSSQNJHKKUDU-MRXNPFEDSA-N
MW422.29 g/mol
LogP3.06
Rot. Bonds9

About (2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide

(2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide (PubChem CID 149114251) has the molecular formula C20H21BrFNO3 and a molecular weight of 422.29 g/mol. Its IUPAC name is (2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide.

Molecular Properties

Compound Name(2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide
PubChem CID149114251
Molecular FormulaC20H21BrFNO3
Molecular Weight422.29 g/mol
Exact Mass421.07
IUPAC Name(2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide
SMILESO=C(Cc1ccc(Br)cc1F)C[C@@H](Cc1ccccc1)C(=O)NCCO
InChIInChI=1S/C20H21BrFNO3/c21-17-7-6-15(19(22)13-17)11-18(25)12-16(20(26)23-8-9-24)10-14-4-2-1-3-5-14/h1-7,13,16,24H,8-12H2,(H,23,26)/t16-/m1/s1
InChIKeyQXYSSQNJHKKUDU-MRXNPFEDSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide?
The IUPAC name of (2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide (CID 149114251) is (2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide.
What is the SMILES notation for (2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide?
The canonical SMILES for (2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide is O=C(Cc1ccc(Br)cc1F)C[C@@H](Cc1ccccc1)C(=O)NCCO.
What is the InChIKey of (2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide?
The InChIKey is QXYSSQNJHKKUDU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21BrFNO3/c21-17-7-6-15(19(22)13-17)11-18(25)12-16(20(26)23-8-9-24)10-14-4-2-1-3-5-14/h1-7,13,16,24H,8-12H2,(H,23,26)/t16-/m1/s1.
What are the key properties of (2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide?
(2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide has a molecular weight of 422.29 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-5-(4-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)-4-oxopentanamide is sourced from PubChem (CID 149114251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).