2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide

C14H20Br2N2O — CID 61473722

IUPAC2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1ccc(Br)cc1Br
InChIInChI=1S/C14H20Br2N2O/c1-5-14(3,4)18-13(19)9(2)17-12-7-6-10(15)8-11(12)16/h6-9,17H,5H2,1-4H3,(H,18,19)
InChIKeyRKIHYGHSWNCCBZ-UHFFFAOYSA-N
MW392.14 g/mol
LogP4.32
Rot. Bonds5

About 2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide

2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 61473722) has the molecular formula C14H20Br2N2O and a molecular weight of 392.14 g/mol. Its IUPAC name is 2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide
PubChem CID61473722
Molecular FormulaC14H20Br2N2O
Molecular Weight392.14 g/mol
Exact Mass389.99
IUPAC Name2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1ccc(Br)cc1Br
InChIInChI=1S/C14H20Br2N2O/c1-5-14(3,4)18-13(19)9(2)17-12-7-6-10(15)8-11(12)16/h6-9,17H,5H2,1-4H3,(H,18,19)
InChIKeyRKIHYGHSWNCCBZ-UHFFFAOYSA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dibromoanilino)-N-phenylpropanamide
CID 60680693
2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107634715
2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43122827
2-(2,3-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113343
2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107599421
2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
CID 61473681
2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43112841
2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113422
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 62369855
(2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide
CID 94641742
2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 43617105
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide (CID 61473722) is 2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is RKIHYGHSWNCCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O/c1-5-14(3,4)18-13(19)9(2)17-12-7-6-10(15)8-11(12)16/h6-9,17H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide?
2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 392.14 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 61473722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).