N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide

C19H20BrCl2N3O2 — CID 46562604

IUPACN-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCc1ccc(NC(=O)C(C)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c(Br)c1
InChIInChI=1S/C19H20BrCl2N3O2/c1-11-7-8-16(13(20)9-11)23-19(27)12(2)25(3)10-17(26)24-18-14(21)5-4-6-15(18)22/h4-9,12H,10H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGSIZPFUKNSRETB-UHFFFAOYSA-N
MW473.20 g/mol
LogP4.96
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide

N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 46562604) has the molecular formula C19H20BrCl2N3O2 and a molecular weight of 473.20 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID46562604
Molecular FormulaC19H20BrCl2N3O2
Molecular Weight473.20 g/mol
Exact Mass471.01
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCc1ccc(NC(=O)C(C)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c(Br)c1
InChIInChI=1S/C19H20BrCl2N3O2/c1-11-7-8-16(13(20)9-11)23-19(27)12(2)25(3)10-17(26)24-18-14(21)5-4-6-15(18)22/h4-9,12H,10H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGSIZPFUKNSRETB-UHFFFAOYSA-N
XLogP4.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.20
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide 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-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24507143
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 46561822
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 4824924
N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 55351270
N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24506925
N-(2-bromo-4-methylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 2707551
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 46561720
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42911688
N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide
CID 112804401
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 25490882

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide (CID 46562604) is N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide is Cc1ccc(NC(=O)C(C)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is GSIZPFUKNSRETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrCl2N3O2/c1-11-7-8-16(13(20)9-11)23-19(27)12(2)25(3)10-17(26)24-18-14(21)5-4-6-15(18)22/h4-9,12H,10H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 473.20 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 46562604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).