N-(5-bromo-2-methoxyphenyl)pent-4-ynamide

C12H12BrNO2 — CID 106741399

IUPACN-(5-bromo-2-methoxyphenyl)pent-4-ynamide
SMILESC#CCCC(=O)Nc1cc(Br)ccc1OC
InChIInChI=1S/C12H12BrNO2/c1-3-4-5-12(15)14-10-8-9(13)6-7-11(10)16-2/h1,6-8H,4-5H2,2H3,(H,14,15)
InChIKeyTZTUBWXFNSBCSH-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.81
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)pent-4-ynamide

N-(5-bromo-2-methoxyphenyl)pent-4-ynamide (PubChem CID 106741399) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)pent-4-ynamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)pent-4-ynamide
PubChem CID106741399
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC NameN-(5-bromo-2-methoxyphenyl)pent-4-ynamide
SMILESC#CCCC(=O)Nc1cc(Br)ccc1OC
InChIInChI=1S/C12H12BrNO2/c1-3-4-5-12(15)14-10-8-9(13)6-7-11(10)16-2/h1,6-8H,4-5H2,2H3,(H,14,15)
InChIKeyTZTUBWXFNSBCSH-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-methoxyphenyl)pent-4-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)pent-4-ynamide
CID 82363143
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210447
N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide
CID 47354774
N-(5-bromo-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 55905124
N-(5-bromo-2-methoxyphenyl)-2-phenoxyacetamide
CID 47317656
2-amino-4-(5-bromo-2-methoxyanilino)-4-oxobutanoic acid
CID 115180932
5-(5-bromo-2-methoxyanilino)-3-methyl-5-oxopentanoic acid
CID 62964590
N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47317633
tert-butyl N-(5-bromo-2-methoxyphenyl)carbamate;propane
CID 144536105

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)pent-4-ynamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)pent-4-ynamide (CID 106741399) is N-(5-bromo-2-methoxyphenyl)pent-4-ynamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)pent-4-ynamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)pent-4-ynamide is C#CCCC(=O)Nc1cc(Br)ccc1OC.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)pent-4-ynamide?
The InChIKey is TZTUBWXFNSBCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-3-4-5-12(15)14-10-8-9(13)6-7-11(10)16-2/h1,6-8H,4-5H2,2H3,(H,14,15).
What are the key properties of N-(5-bromo-2-methoxyphenyl)pent-4-ynamide?
N-(5-bromo-2-methoxyphenyl)pent-4-ynamide has a molecular weight of 282.14 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)pent-4-ynamide is sourced from PubChem (CID 106741399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).