N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide

C9H9BrCl2N2O — CID 107790226

IUPACN-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C9H9BrCl2N2O/c1-13-4-7(15)14-6-3-2-5(10)8(11)9(6)12/h2-3,13H,4H2,1H3,(H,14,15)
InChIKeyCHEHNOXZLBPCRV-UHFFFAOYSA-N
MW311.99 g/mol
LogP2.91
Rot. Bonds3

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

N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide (PubChem CID 107790226) has the molecular formula C9H9BrCl2N2O and a molecular weight of 311.99 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide
PubChem CID107790226
Molecular FormulaC9H9BrCl2N2O
Molecular Weight311.99 g/mol
Exact Mass309.93
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C9H9BrCl2N2O/c1-13-4-7(15)14-6-3-2-5(10)8(11)9(6)12/h2-3,13H,4H2,1H3,(H,14,15)
InChIKeyCHEHNOXZLBPCRV-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.99
LogP ≤ 52.91
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-2,3-dichlorophenyl)acetamide
CID 22462548
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 114001833
4-(4-bromo-2,3-dichloroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 113428627
N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide
CID 107790244
5-(4-bromo-2,3-dichloroanilino)-3-methyl-5-oxopentanoic acid
CID 114001552
3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide
CID 114001852
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide
CID 107788653
2-(2-aminophenyl)-N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 107786724
N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide
CID 107790162
propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate
CID 107788701
N-(4-bromo-2-hydroxyphenyl)-2-(methylamino)acetamide;hydrochloride
CID 131159794
N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114001899

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide (CID 107790226) is N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide is CNCC(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide?
The InChIKey is CHEHNOXZLBPCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2N2O/c1-13-4-7(15)14-6-3-2-5(10)8(11)9(6)12/h2-3,13H,4H2,1H3,(H,14,15).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide?
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide has a molecular weight of 311.99 g/mol, XLogP of 2.91, 3 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-(methylamino)acetamide is sourced from PubChem (CID 107790226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).