3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide

C9H4BrCl2NO — CID 130744415

IUPAC3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide
SMILESO=C(C#CBr)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C9H4BrCl2NO/c10-5-4-8(14)13-9-6(11)2-1-3-7(9)12/h1-3H,(H,13,14)
InChIKeyQURQEKUKVBXUSW-UHFFFAOYSA-N
MW292.95 g/mol
LogP3.29
Rot. Bonds1

About 3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide

3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide (PubChem CID 130744415) has the molecular formula C9H4BrCl2NO and a molecular weight of 292.95 g/mol. Its IUPAC name is 3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide.

Molecular Properties

Compound Name3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide
PubChem CID130744415
Molecular FormulaC9H4BrCl2NO
Molecular Weight292.95 g/mol
Exact Mass290.89
IUPAC Name3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide
SMILESO=C(C#CBr)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C9H4BrCl2NO/c10-5-4-8(14)13-9-6(11)2-1-3-7(9)12/h1-3H,(H,13,14)
InChIKeyQURQEKUKVBXUSW-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.95
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
2-bromo-N-(2,6-dichlorophenyl)propanamide
CID 53414281
1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea
CID 3557279
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N-(2,6-dichlorophenyl)-2-sulfanylacetamide
CID 14567957
N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 3450597
2-(2,6-dichloroanilino)-2-sulfanylideneacetamide
CID 98040700
(Z)-4-(2,6-dichloroanilino)-3-methyl-4-oxobut-2-enoic acid
CID 82335452
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide
CID 55208118

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide?
The IUPAC name of 3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide (CID 130744415) is 3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide.
What is the SMILES notation for 3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide?
The canonical SMILES for 3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide is O=C(C#CBr)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide?
The InChIKey is QURQEKUKVBXUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2NO/c10-5-4-8(14)13-9-6(11)2-1-3-7(9)12/h1-3H,(H,13,14).
What are the key properties of 3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide?
3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide has a molecular weight of 292.95 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide is sourced from PubChem (CID 130744415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).