N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide

C13H17BrCl2N2O — CID 54928480

IUPACN-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H17BrCl2N2O/c1-13(2,3)17-5-4-11(19)18-12-9(15)6-8(14)7-10(12)16/h6-7,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyVHXFKGOAHPACKC-UHFFFAOYSA-N
MW368.10 g/mol
LogP4.47
Rot. Bonds4

About N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide

N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide (PubChem CID 54928480) has the molecular formula C13H17BrCl2N2O and a molecular weight of 368.10 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide
PubChem CID54928480
Molecular FormulaC13H17BrCl2N2O
Molecular Weight368.10 g/mol
Exact Mass365.99
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H17BrCl2N2O/c1-13(2,3)17-5-4-11(19)18-12-9(15)6-8(14)7-10(12)16/h6-7,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyVHXFKGOAHPACKC-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)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

4-(4-bromo-2,6-dichloroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302251
N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide
CID 54928578
3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide
CID 60851334
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 115564477
1-(4-bromo-2,6-dichlorophenyl)-3-propylurea
CID 115571566
N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide
CID 58097339
N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
CID 81266206
N-(5-bromo-2-fluorophenyl)-3-(tert-butylamino)propanamide
CID 60850786
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
N-(4-bromo-2,6-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287359
3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-sulfanylidenepropanamide
CID 28993502

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide (CID 54928480) is N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide is CC(C)(C)NCCC(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide?
The InChIKey is VHXFKGOAHPACKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrCl2N2O/c1-13(2,3)17-5-4-11(19)18-12-9(15)6-8(14)7-10(12)16/h6-7,17H,4-5H2,1-3H3,(H,18,19).
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide?
N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide has a molecular weight of 368.10 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide is sourced from PubChem (CID 54928480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).