2-(2-bromoanilino)-2-methylbutanamide

C11H15BrN2O — CID 61006238

IUPAC2-(2-bromoanilino)-2-methylbutanamide
SMILESCCC(C)(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C11H15BrN2O/c1-3-11(2,10(13)15)14-9-7-5-4-6-8(9)12/h4-7,14H,3H2,1-2H3,(H2,13,15)
InChIKeyABLJANHAKLPBAV-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.52
Rot. Bonds4

About 2-(2-bromoanilino)-2-methylbutanamide

2-(2-bromoanilino)-2-methylbutanamide (PubChem CID 61006238) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-methylbutanamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-methylbutanamide
PubChem CID61006238
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-(2-bromoanilino)-2-methylbutanamide
SMILESCCC(C)(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C11H15BrN2O/c1-3-11(2,10(13)15)14-9-7-5-4-6-8(9)12/h4-7,14H,3H2,1-2H3,(H2,13,15)
InChIKeyABLJANHAKLPBAV-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)-2-methylbutanoic acid
CID 60994535
2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide
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2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831900
2-(2-bromoanilino)-2-ethylbutan-1-ol
CID 61050046
ethyl 2-(2-bromoanilino)-2-methylhex-5-enoate
CID 104656019
2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 51252444
2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide
CID 114884778
2-amino-5-[(1-amino-2-methyl-1-oxobutan-2-yl)amino]benzamide
CID 112738398
[2-(2-methylbutan-2-yl)phenyl]urea
CID 155115241
2-methyl-2-(2-methylsulfonylanilino)butanoic acid
CID 79798877
(2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide
CID 97341035
2-[(2-bromophenyl)methylamino]-2-methylbutanoic acid
CID 78971162

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-methylbutanamide?
The IUPAC name of 2-(2-bromoanilino)-2-methylbutanamide (CID 61006238) is 2-(2-bromoanilino)-2-methylbutanamide.
What is the SMILES notation for 2-(2-bromoanilino)-2-methylbutanamide?
The canonical SMILES for 2-(2-bromoanilino)-2-methylbutanamide is CCC(C)(Nc1ccccc1Br)C(N)=O.
What is the InChIKey of 2-(2-bromoanilino)-2-methylbutanamide?
The InChIKey is ABLJANHAKLPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-11(2,10(13)15)14-9-7-5-4-6-8(9)12/h4-7,14H,3H2,1-2H3,(H2,13,15).
What are the key properties of 2-(2-bromoanilino)-2-methylbutanamide?
2-(2-bromoanilino)-2-methylbutanamide has a molecular weight of 271.16 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-methylbutanamide is sourced from PubChem (CID 61006238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).