2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide

C12H16BrClN2O — CID 114327743

IUPAC2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)C(C)(C)Br
InChIInChI=1S/C12H16BrClN2O/c1-12(2,13)11(17)15-9-7-5-6-8(14)10(9)16(3)4/h5-7H,1-4H3,(H,15,17)
InChIKeyRFDRHIXHASTMMB-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.52
Rot. Bonds3

About 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide

2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide (PubChem CID 114327743) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
PubChem CID114327743
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)C(C)(C)Br
InChIInChI=1S/C12H16BrClN2O/c1-12(2,13)11(17)15-9-7-5-6-8(14)10(9)16(3)4/h5-7H,1-4H3,(H,15,17)
InChIKeyRFDRHIXHASTMMB-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide
CID 103028921
N-[3-chloro-2-(dimethylamino)phenyl]but-2-enamide
CID 112729328
3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
3-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076471
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
CID 110894267
2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide
CID 164656809
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111103609
2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868200
6-[3-chloro-2-(dimethylamino)anilino]-6-oxohexanoic acid
CID 60940353
3-chloro-1-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61326393
N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide
CID 46485504

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide (CID 114327743) is 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide is CN(C)c1c(Cl)cccc1NC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide?
The InChIKey is RFDRHIXHASTMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-12(2,13)11(17)15-9-7-5-6-8(14)10(9)16(3)4/h5-7H,1-4H3,(H,15,17).
What are the key properties of 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide?
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide has a molecular weight of 319.63 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide is sourced from PubChem (CID 114327743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).