4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide

C11H12Br2ClNO — CID 104556236

IUPAC4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide
SMILESCC(CBr)N(C)C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H12Br2ClNO/c1-7(6-12)15(2)11(16)9-4-3-8(13)5-10(9)14/h3-5,7H,6H2,1-2H3
InChIKeyYPKDZGBIESOOJD-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.96
Rot. Bonds3

About 4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide

4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide (PubChem CID 104556236) has the molecular formula C11H12Br2ClNO and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide
PubChem CID104556236
Molecular FormulaC11H12Br2ClNO
Molecular Weight369.48 g/mol
Exact Mass366.90
IUPAC Name4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide
SMILESCC(CBr)N(C)C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H12Br2ClNO/c1-7(6-12)15(2)11(16)9-4-3-8(13)5-10(9)14/h3-5,7H,6H2,1-2H3
InChIKeyYPKDZGBIESOOJD-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide 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-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide
CID 119584919
4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide
CID 104556235
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide
CID 104555603
N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
CID 107726128
N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide
CID 104556293
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 104555993
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395077
4-amino-N-butan-2-yl-2-chloro-N-methylbenzamide;hydrochloride
CID 119737738
1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one
CID 82779483
N-(1-bromopropan-2-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107726127

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide?
The IUPAC name of 4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide (CID 104556236) is 4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide is CC(CBr)N(C)C(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide?
The InChIKey is YPKDZGBIESOOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2ClNO/c1-7(6-12)15(2)11(16)9-4-3-8(13)5-10(9)14/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide?
4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide has a molecular weight of 369.48 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide is sourced from PubChem (CID 104556236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).