2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide

C10H9Br2Cl2NO — CID 107788653

IUPAC2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H9Br2Cl2NO/c1-10(2,12)9(16)15-6-4-3-5(11)7(13)8(6)14/h3-4H,1-2H3,(H,15,16)
InChIKeyVDVVCKKMULKYJM-UHFFFAOYSA-N
MW389.90 g/mol
LogP4.87
Rot. Bonds2

About 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide

2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide (PubChem CID 107788653) has the molecular formula C10H9Br2Cl2NO and a molecular weight of 389.90 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide
PubChem CID107788653
Molecular FormulaC10H9Br2Cl2NO
Molecular Weight389.90 g/mol
Exact Mass386.84
IUPAC Name2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H9Br2Cl2NO/c1-10(2,12)9(16)15-6-4-3-5(11)7(13)8(6)14/h3-4H,1-2H3,(H,15,16)
InChIKeyVDVVCKKMULKYJM-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide 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-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 114001853
4-(4-bromo-2,3-dichloroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 113428627
2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide
CID 164656809
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide
CID 107790226
propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate
CID 107788701
1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol
CID 107788903
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 114001833
N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide
CID 107790244
2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
CID 107791014
5-(4-bromo-2,3-dichloroanilino)-3-methyl-5-oxopentanoic acid
CID 114001552

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide (CID 107788653) is 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide is CC(C)(Br)C(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide?
The InChIKey is VDVVCKKMULKYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2Cl2NO/c1-10(2,12)9(16)15-6-4-3-5(11)7(13)8(6)14/h3-4H,1-2H3,(H,15,16).
What are the key properties of 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide?
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide has a molecular weight of 389.90 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 107788653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).