(2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide

C18H18BrNO2 — CID 147604512

IUPAC(2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide
SMILESNC(=O)[C@@H](CC(=O)Cc1ccc(Br)cc1)Cc1ccccc1
InChIInChI=1S/C18H18BrNO2/c19-16-8-6-14(7-9-16)11-17(21)12-15(18(20)22)10-13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H2,20,22)/t15-/m1/s1
InChIKeyGAUHYJHZBKCRHB-OAHLLOKOSA-N
MW360.25 g/mol
LogP3.30
Rot. Bonds7

About (2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide

(2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide (PubChem CID 147604512) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is (2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide.

Molecular Properties

Compound Name(2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide
PubChem CID147604512
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name(2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide
SMILESNC(=O)[C@@H](CC(=O)Cc1ccc(Br)cc1)Cc1ccccc1
InChIInChI=1S/C18H18BrNO2/c19-16-8-6-14(7-9-16)11-17(21)12-15(18(20)22)10-13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H2,20,22)/t15-/m1/s1
InChIKeyGAUHYJHZBKCRHB-OAHLLOKOSA-N
XLogP3.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-phenylphenyl)methyl]butanediamide
CID 154379119
2-benzyl-5-(4-methylsulfanylphenyl)-4-oxopentanoic acid
CID 152789965
methyl (3R)-4-amino-3-benzyl-4-oxobutanoate
CID 170449979
(2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide
CID 149334203
1,5-diphenyl-4-sulfanylpentan-2-one
CID 87477477
5-(4-bromophenyl)-1-phenylpentan-2-one
CID 157218581
(2R)-4-(benzylamino)-2-[(4-bromophenyl)methyl]-4-oxobutanoic acid
CID 1112955
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
(2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide
CID 152833510
(3S)-4-(benzylamino)-3-[(4-bromophenyl)methyl]-4-oxobutanoate
CID 6979206
2-[(4-bromophenyl)methyl]-5-ethyl-4-oxoheptanoic acid
CID 74223550

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide?
The IUPAC name of (2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide (CID 147604512) is (2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide.
What is the SMILES notation for (2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide?
The canonical SMILES for (2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide is NC(=O)[C@@H](CC(=O)Cc1ccc(Br)cc1)Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide?
The InChIKey is GAUHYJHZBKCRHB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18BrNO2/c19-16-8-6-14(7-9-16)11-17(21)12-15(18(20)22)10-13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H2,20,22)/t15-/m1/s1.
What are the key properties of (2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide?
(2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide has a molecular weight of 360.25 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide is sourced from PubChem (CID 147604512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).