N-(2-bromophenyl)-2-propylpentanamide

C14H20BrNO — CID 115532233

IUPACN-(2-bromophenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-3-7-11(8-4-2)14(17)16-13-10-6-5-9-12(13)15/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyVGYXJSZJCJKAMM-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.60
Rot. Bonds6

About N-(2-bromophenyl)-2-propylpentanamide

N-(2-bromophenyl)-2-propylpentanamide (PubChem CID 115532233) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-propylpentanamide
PubChem CID115532233
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-(2-bromophenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-3-7-11(8-4-2)14(17)16-13-10-6-5-9-12(13)15/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyVGYXJSZJCJKAMM-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-acetylphenyl)-2-propylpentanamide
CID 113329842
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
4-bromo-3-(2-propylpentanoylamino)benzoic acid
CID 107812571
(2S)-2-[(2-bromophenyl)carbamoylamino]pentanoic acid
CID 107566056
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
N-(2-bromophenyl)-2-ethylnon-7-enamide
CID 140646551
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
N-(2-bromophenyl)butanamide
CID 732405
1-(2-bromophenyl)-3-pentan-3-ylurea
CID 108888381
N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide
CID 111121394
(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide
CID 9440741
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide
CID 82987618

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-propylpentanamide?
The IUPAC name of N-(2-bromophenyl)-2-propylpentanamide (CID 115532233) is N-(2-bromophenyl)-2-propylpentanamide.
What is the SMILES notation for N-(2-bromophenyl)-2-propylpentanamide?
The canonical SMILES for N-(2-bromophenyl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-propylpentanamide?
The InChIKey is VGYXJSZJCJKAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-3-7-11(8-4-2)14(17)16-13-10-6-5-9-12(13)15/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromophenyl)-2-propylpentanamide?
N-(2-bromophenyl)-2-propylpentanamide has a molecular weight of 298.22 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-propylpentanamide is sourced from PubChem (CID 115532233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).