N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide

C16H24BrNO — CID 107575057

IUPACN-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H24BrNO/c1-5-7-13(8-6-2)16(19)18-14-9-11(3)15(17)12(4)10-14/h9-10,13H,5-8H2,1-4H3,(H,18,19)
InChIKeyURMFVTWIZUJJHY-UHFFFAOYSA-N
MW326.28 g/mol
LogP5.22
Rot. Bonds6

About N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide

N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide (PubChem CID 107575057) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide
PubChem CID107575057
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H24BrNO/c1-5-7-13(8-6-2)16(19)18-14-9-11(3)15(17)12(4)10-14/h9-10,13H,5-8H2,1-4H3,(H,18,19)
InChIKeyURMFVTWIZUJJHY-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.28
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid
CID 107576251
(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide
CID 107574322
N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide
CID 107574214
2-propyl-N-(2,4,6-trimethylphenyl)pentanamide
CID 11841490
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide
CID 107574238
N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide
CID 113445559
2-ethyl-N-(3-methylphenyl)pentanamide
CID 20659416
2-amino-N-(4-bromo-3,5-dimethylphenyl)acetamide
CID 107574130
3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 107574314
5-[2-(aminomethyl)pentanoylamino]benzene-1,3-dicarboxylic acid
CID 65229252
N-(2-bromophenyl)-2-propylpentanamide
CID 115532233
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide (CID 107575057) is N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide?
The InChIKey is URMFVTWIZUJJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-5-7-13(8-6-2)16(19)18-14-9-11(3)15(17)12(4)10-14/h9-10,13H,5-8H2,1-4H3,(H,18,19).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide?
N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide has a molecular weight of 326.28 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide is sourced from PubChem (CID 107575057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).