N-(4-bromo-3-methylphenyl)-2-phenylpentanamide

C18H20BrNO — CID 16552824

IUPACN-(4-bromo-3-methylphenyl)-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1ccc(Br)c(C)c1)c1ccccc1
InChIInChI=1S/C18H20BrNO/c1-3-7-16(14-8-5-4-6-9-14)18(21)20-15-10-11-17(19)13(2)12-15/h4-6,8-12,16H,3,7H2,1-2H3,(H,20,21)
InChIKeyIMWJMPFFDNTYOV-UHFFFAOYSA-N
MW346.27 g/mol
LogP5.28
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-phenylpentanamide

N-(4-bromo-3-methylphenyl)-2-phenylpentanamide (PubChem CID 16552824) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-phenylpentanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-phenylpentanamide
PubChem CID16552824
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-(4-bromo-3-methylphenyl)-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1ccc(Br)c(C)c1)c1ccccc1
InChIInChI=1S/C18H20BrNO/c1-3-7-16(14-8-5-4-6-9-14)18(21)20-15-10-11-17(19)13(2)12-15/h4-6,8-12,16H,3,7H2,1-2H3,(H,20,21)
InChIKeyIMWJMPFFDNTYOV-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.27
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2905555
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N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729
N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide
CID 16551195
3-[[(2R)-2-phenylpentanoyl]amino]benzamide
CID 41260026
N-(2-methylphenyl)-2-phenylpentanamide
CID 78775166
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
(2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 95367609
N-(4-ethoxyphenyl)-2-phenylpentanamide
CID 112760775
(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide
CID 9071410
N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride
CID 119419153
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CID 22691303

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-phenylpentanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-phenylpentanamide (CID 16552824) is N-(4-bromo-3-methylphenyl)-2-phenylpentanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-phenylpentanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-phenylpentanamide is CCCC(C(=O)Nc1ccc(Br)c(C)c1)c1ccccc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-phenylpentanamide?
The InChIKey is IMWJMPFFDNTYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-3-7-16(14-8-5-4-6-9-14)18(21)20-15-10-11-17(19)13(2)12-15/h4-6,8-12,16H,3,7H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-phenylpentanamide?
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide has a molecular weight of 346.27 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-phenylpentanamide is sourced from PubChem (CID 16552824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).