2-(2-bromoanilino)-N'-methylbutanediamide

C11H14BrN3O2 — CID 66426720

IUPAC2-(2-bromoanilino)-N'-methylbutanediamide
SMILESCNC(=O)CC(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C11H14BrN3O2/c1-14-10(16)6-9(11(13)17)15-8-5-3-2-4-7(8)12/h2-5,9,15H,6H2,1H3,(H2,13,17)(H,14,16)
InChIKeyHSRAIKVIDBDBMC-UHFFFAOYSA-N
MW300.16 g/mol
LogP0.85
Rot. Bonds5

About 2-(2-bromoanilino)-N'-methylbutanediamide

2-(2-bromoanilino)-N'-methylbutanediamide (PubChem CID 66426720) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N'-methylbutanediamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N'-methylbutanediamide
PubChem CID66426720
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(2-bromoanilino)-N'-methylbutanediamide
SMILESCNC(=O)CC(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C11H14BrN3O2/c1-14-10(16)6-9(11(13)17)15-8-5-3-2-4-7(8)12/h2-5,9,15H,6H2,1H3,(H2,13,17)(H,14,16)
InChIKeyHSRAIKVIDBDBMC-UHFFFAOYSA-N
XLogP0.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-bromoanilino)pentanoate
CID 54890587
2-(2-bromoanilino)-N-carbamoylpropanamide
CID 43083796
2-(4-methoxyanilino)-N'-methylbutanediamide
CID 66429484
2-(2-bromoanilino)-2-(2-bromophenyl)acetamide
CID 54892174
ethyl 2-(2-bromoanilino)-4-methoxy-4-methylpentanoate
CID 106675965
N'-cyclopropyl-2-(2-fluoroanilino)butanediamide
CID 66429998
2-(2-bromoanilino)-4-methylsulfanylbutanoic acid
CID 60993833
2-(2-fluoroanilino)butanamide
CID 60995502
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]propanoate
CID 60691142
ethyl 4-amino-3-(2-chloroanilino)-4-oxobutanoate
CID 66430916
3-(2-bromoanilino)-N'-hydroxybutanimidamide
CID 77026721
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N'-methylbutanediamide?
The IUPAC name of 2-(2-bromoanilino)-N'-methylbutanediamide (CID 66426720) is 2-(2-bromoanilino)-N'-methylbutanediamide.
What is the SMILES notation for 2-(2-bromoanilino)-N'-methylbutanediamide?
The canonical SMILES for 2-(2-bromoanilino)-N'-methylbutanediamide is CNC(=O)CC(Nc1ccccc1Br)C(N)=O.
What is the InChIKey of 2-(2-bromoanilino)-N'-methylbutanediamide?
The InChIKey is HSRAIKVIDBDBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-14-10(16)6-9(11(13)17)15-8-5-3-2-4-7(8)12/h2-5,9,15H,6H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 2-(2-bromoanilino)-N'-methylbutanediamide?
2-(2-bromoanilino)-N'-methylbutanediamide has a molecular weight of 300.16 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N'-methylbutanediamide is sourced from PubChem (CID 66426720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).