2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide

C13H17BrCl2N2O — CID 55195038

IUPAC2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H17BrCl2N2O/c1-7(2)8(3)18-12(19)6-17-13-10(15)4-9(14)5-11(13)16/h4-5,7-8,17H,6H2,1-3H3,(H,18,19)
InChIKeyFGTWFXVJZGJGPI-UHFFFAOYSA-N
MW368.10 g/mol
LogP4.33
Rot. Bonds5

About 2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide

2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 55195038) 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-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide
PubChem CID55195038
Molecular FormulaC13H17BrCl2N2O
Molecular Weight368.10 g/mol
Exact Mass365.99
IUPAC Name2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H17BrCl2N2O/c1-7(2)8(3)18-12(19)6-17-13-10(15)4-9(14)5-11(13)16/h4-5,7-8,17H,6H2,1-3H3,(H,18,19)
InChIKeyFGTWFXVJZGJGPI-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.10
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283
4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline
CID 114281829
2-(4-bromo-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
CID 28993380
N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide
CID 42977194
2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 81266788
2-(2,6-diethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 62328197
2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide
CID 33007137
2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 102847113
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 47123138
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 40941996
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40941994

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide (CID 55195038) is 2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CNc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is FGTWFXVJZGJGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrCl2N2O/c1-7(2)8(3)18-12(19)6-17-13-10(15)4-9(14)5-11(13)16/h4-5,7-8,17H,6H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide?
2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 368.10 g/mol, XLogP of 4.33, 5 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 55195038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).