2-(2-bromophenyl)-N-pentylacetamide

C13H18BrNO — CID 113098374

IUPAC2-(2-bromophenyl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-2-3-6-9-15-13(16)10-11-7-4-5-8-12(11)14/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,15,16)
InChIKeyDHPYIZJUMUWYCH-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.30
Rot. Bonds6

About 2-(2-bromophenyl)-N-pentylacetamide

2-(2-bromophenyl)-N-pentylacetamide (PubChem CID 113098374) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-pentylacetamide
PubChem CID113098374
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-(2-bromophenyl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-2-3-6-9-15-13(16)10-11-7-4-5-8-12(11)14/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,15,16)
InChIKeyDHPYIZJUMUWYCH-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.30
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

2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
3-[[2-(2-bromophenyl)acetyl]amino]propanoic acid
CID 115729925
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202
2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide
CID 113064894
2-(2-bromophenyl)-N-(2-phenylethyl)acetamide
CID 86025438
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995770
N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide
CID 15131759

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-pentylacetamide?
The IUPAC name of 2-(2-bromophenyl)-N-pentylacetamide (CID 113098374) is 2-(2-bromophenyl)-N-pentylacetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-pentylacetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-pentylacetamide is CCCCCNC(=O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-pentylacetamide?
The InChIKey is DHPYIZJUMUWYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-2-3-6-9-15-13(16)10-11-7-4-5-8-12(11)14/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,15,16).
What are the key properties of 2-(2-bromophenyl)-N-pentylacetamide?
2-(2-bromophenyl)-N-pentylacetamide has a molecular weight of 284.20 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-pentylacetamide is sourced from PubChem (CID 113098374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).