N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide

C11H13BrCl2N2O — CID 114001833

IUPACN-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H13BrCl2N2O/c1-6(5-15-2)11(17)16-8-4-3-7(12)9(13)10(8)14/h3-4,6,15H,5H2,1-2H3,(H,16,17)
InChIKeyUXYFBRJTEIOMET-UHFFFAOYSA-N
MW340.05 g/mol
LogP3.55
Rot. Bonds4

About N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide

N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 114001833) has the molecular formula C11H13BrCl2N2O and a molecular weight of 340.05 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide
PubChem CID114001833
Molecular FormulaC11H13BrCl2N2O
Molecular Weight340.05 g/mol
Exact Mass337.96
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H13BrCl2N2O/c1-6(5-15-2)11(17)16-8-4-3-7(12)9(13)10(8)14/h3-4,6,15H,5H2,1-2H3,(H,16,17)
InChIKeyUXYFBRJTEIOMET-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.05
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196244
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide
CID 107790226
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate
CID 107788701
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176
5-(4-bromo-2,3-dichloroanilino)-3-methyl-5-oxopentanoic acid
CID 114001552
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073
(2R)-2-[(4-bromo-2,3-dichlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107791986
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide
CID 107788653
5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride
CID 119713991
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195644

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide (CID 114001833) is N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is UXYFBRJTEIOMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2O/c1-6(5-15-2)11(17)16-8-4-3-7(12)9(13)10(8)14/h3-4,6,15H,5H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide?
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 340.05 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 114001833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).