N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide

C9H4BrClFNO — CID 107612535

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C9H4BrClFNO/c1-2-8(14)13-9-6(10)3-5(12)4-7(9)11/h1,3-4H,(H,13,14)
InChIKeyLYSOBDYISZEXQW-UHFFFAOYSA-N
MW276.49 g/mol
LogP2.81
Rot. Bonds1

About N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide

N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide (PubChem CID 107612535) has the molecular formula C9H4BrClFNO and a molecular weight of 276.49 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide
PubChem CID107612535
Molecular FormulaC9H4BrClFNO
Molecular Weight276.49 g/mol
Exact Mass274.91
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C9H4BrClFNO/c1-2-8(14)13-9-6(10)3-5(12)4-7(9)11/h1,3-4H,(H,13,14)
InChIKeyLYSOBDYISZEXQW-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-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-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 103578333
N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide
CID 107611945
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107609255
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
CID 107611878
N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 107612455
N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 107611969
N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide
CID 107612048
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 103867801
4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide
CID 107612502
N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 107470607
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107614461

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide (CID 107612535) is N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide is C#CC(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide?
The InChIKey is LYSOBDYISZEXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClFNO/c1-2-8(14)13-9-6(10)3-5(12)4-7(9)11/h1,3-4H,(H,13,14).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide?
N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide has a molecular weight of 276.49 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide is sourced from PubChem (CID 107612535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).