5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide

C19H22BrNO — CID 55752390

IUPAC5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
SMILESO=C(CCCCc1ccc(Br)cc1)NCCc1ccccc1
InChIInChI=1S/C19H22BrNO/c20-18-12-10-17(11-13-18)8-4-5-9-19(22)21-15-14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2,(H,21,22)
InChIKeyUFORKDLKOZGIDD-UHFFFAOYSA-N
MW360.29 g/mol
LogP4.52
Rot. Bonds8

About 5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide

5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide (PubChem CID 55752390) has the molecular formula C19H22BrNO and a molecular weight of 360.29 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
PubChem CID55752390
Molecular FormulaC19H22BrNO
Molecular Weight360.29 g/mol
Exact Mass359.09
IUPAC Name5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
SMILESO=C(CCCCc1ccc(Br)cc1)NCCc1ccccc1
InChIInChI=1S/C19H22BrNO/c20-18-12-10-17(11-13-18)8-4-5-9-19(22)21-15-14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2,(H,21,22)
InChIKeyUFORKDLKOZGIDD-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide
CID 115139262
2-(4-bromophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993255
6-chloro-N-(2-phenylethyl)hexanamide
CID 154710700
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
CID 142727630
N-(4-phenylbutyl)hexanamide
CID 4985988
N-[2-(2-methylphenyl)ethyl]-5-phenylpentanamide
CID 118398399
4-[4-oxo-4-(2-phenylethylamino)butyl]benzenesulfonic acid
CID 23037515
N-(2-phenylethyl)undec-10-enamide
CID 3930064
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide (CID 55752390) is 5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide is O=C(CCCCc1ccc(Br)cc1)NCCc1ccccc1.
What is the InChIKey of 5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide?
The InChIKey is UFORKDLKOZGIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO/c20-18-12-10-17(11-13-18)8-4-5-9-19(22)21-15-14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2,(H,21,22).
What are the key properties of 5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide?
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide has a molecular weight of 360.29 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide is sourced from PubChem (CID 55752390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).