2-(3-bromophenyl)-N-hex-5-ynylacetamide

C14H16BrNO — CID 103757951

IUPAC2-(3-bromophenyl)-N-hex-5-ynylacetamide
SMILESC#CCCCCNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H16BrNO/c1-2-3-4-5-9-16-14(17)11-12-7-6-8-13(15)10-12/h1,6-8,10H,3-5,9,11H2,(H,16,17)
InChIKeyOEPVYGJYUITIRK-UHFFFAOYSA-N
MW294.19 g/mol
LogP2.91
Rot. Bonds6

About 2-(3-bromophenyl)-N-hex-5-ynylacetamide

2-(3-bromophenyl)-N-hex-5-ynylacetamide (PubChem CID 103757951) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-hex-5-ynylacetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-hex-5-ynylacetamide
PubChem CID103757951
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name2-(3-bromophenyl)-N-hex-5-ynylacetamide
SMILESC#CCCCCNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H16BrNO/c1-2-3-4-5-9-16-14(17)11-12-7-6-8-13(15)10-12/h1,6-8,10H,3-5,9,11H2,(H,16,17)
InChIKeyOEPVYGJYUITIRK-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromobutyl)-2-(3-bromophenyl)acetamide
CID 106845789
2-(3-bromophenyl)-N-(3-cyanopropyl)acetamide
CID 55208949
2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
2-(4-aminophenyl)-N-hex-5-ynylacetamide
CID 106208123
2-naphthalen-2-yl-N-pent-4-ynylacetamide
CID 103709060
5-[[2-(3-bromophenyl)acetyl]amino]-2-methylpentanoic acid
CID 113440578
2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
CID 103709115
N-hex-5-ynyl-2-(2-methylphenyl)acetamide
CID 103758083
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
4-bromo-N-hex-5-ynyl-2-sulfanylbenzamide
CID 106212646

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-hex-5-ynylacetamide?
The IUPAC name of 2-(3-bromophenyl)-N-hex-5-ynylacetamide (CID 103757951) is 2-(3-bromophenyl)-N-hex-5-ynylacetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-hex-5-ynylacetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-hex-5-ynylacetamide is C#CCCCCNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-hex-5-ynylacetamide?
The InChIKey is OEPVYGJYUITIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-2-3-4-5-9-16-14(17)11-12-7-6-8-13(15)10-12/h1,6-8,10H,3-5,9,11H2,(H,16,17).
What are the key properties of 2-(3-bromophenyl)-N-hex-5-ynylacetamide?
2-(3-bromophenyl)-N-hex-5-ynylacetamide has a molecular weight of 294.19 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-hex-5-ynylacetamide is sourced from PubChem (CID 103757951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).