2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide

C13H17BrCl2N2O — CID 43126681

IUPAC2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide
SMILESCC(Nc1c(Cl)cc(Br)cc1Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C13H17BrCl2N2O/c1-7(12(19)18-13(2,3)4)17-11-9(15)5-8(14)6-10(11)16/h5-7,17H,1-4H3,(H,18,19)
InChIKeyJHRUCMPZTREBOT-UHFFFAOYSA-N
MW368.10 g/mol
LogP4.47
Rot. Bonds3

About 2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide

2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide (PubChem CID 43126681) has the molecular formula C13H17BrCl2N2O and a molecular weight of 368.10 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide
PubChem CID43126681
Molecular FormulaC13H17BrCl2N2O
Molecular Weight368.10 g/mol
Exact Mass365.99
IUPAC Name2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide
SMILESCC(Nc1c(Cl)cc(Br)cc1Cl)C(=O)NC(C)(C)C
InChIInChI=1S/C13H17BrCl2N2O/c1-7(12(19)18-13(2,3)4)17-11-9(15)5-8(14)6-10(11)16/h5-7,17H,1-4H3,(H,18,19)
InChIKeyJHRUCMPZTREBOT-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.10
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide 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

2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide
CID 43126659
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide
CID 112690234
N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide
CID 104726706
2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide
CID 65489625
2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide
CID 80973497
4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline
CID 43126639
N-tert-butyl-2-(3-chloro-4-methoxyanilino)propanamide
CID 43087356
N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide
CID 102759658
4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 63425757
2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide
CID 65437707
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide
CID 115685414
N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide
CID 116699575

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide?
The IUPAC name of 2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide (CID 43126681) is 2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide.
What is the SMILES notation for 2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide?
The canonical SMILES for 2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide is CC(Nc1c(Cl)cc(Br)cc1Cl)C(=O)NC(C)(C)C.
What is the InChIKey of 2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide?
The InChIKey is JHRUCMPZTREBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrCl2N2O/c1-7(12(19)18-13(2,3)4)17-11-9(15)5-8(14)6-10(11)16/h5-7,17H,1-4H3,(H,18,19).
What are the key properties of 2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide?
2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide has a molecular weight of 368.10 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide is sourced from PubChem (CID 43126681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).