3-[3-bromo-2-(hydroxymethyl)anilino]butanamide

C11H15BrN2O2 — CID 115929266

IUPAC3-[3-bromo-2-(hydroxymethyl)anilino]butanamide
SMILESCC(CC(N)=O)Nc1cccc(Br)c1CO
InChIInChI=1S/C11H15BrN2O2/c1-7(5-11(13)16)14-10-4-2-3-9(12)8(10)6-15/h2-4,7,14-15H,5-6H2,1H3,(H2,13,16)
InChIKeyXRVXNBZWYWQAFJ-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.62
Rot. Bonds5

About 3-[3-bromo-2-(hydroxymethyl)anilino]butanamide

3-[3-bromo-2-(hydroxymethyl)anilino]butanamide (PubChem CID 115929266) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-[3-bromo-2-(hydroxymethyl)anilino]butanamide.

Molecular Properties

Compound Name3-[3-bromo-2-(hydroxymethyl)anilino]butanamide
PubChem CID115929266
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-[3-bromo-2-(hydroxymethyl)anilino]butanamide
SMILESCC(CC(N)=O)Nc1cccc(Br)c1CO
InChIInChI=1S/C11H15BrN2O2/c1-7(5-11(13)16)14-10-4-2-3-9(12)8(10)6-15/h2-4,7,14-15H,5-6H2,1H3,(H2,13,16)
InChIKeyXRVXNBZWYWQAFJ-UHFFFAOYSA-N
XLogP1.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol
CID 115929258
3-(2,3-dichloroanilino)butanamide
CID 82086378
N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide
CID 130718807
ethyl 3-(3-bromo-2-methylanilino)butanoate
CID 107633896
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]butanamide
CID 115572702
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]butanediamide
CID 61167372
3-(2-bromoanilino)-N'-hydroxybutanimidamide
CID 77026721
(2S)-2-[2-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol
CID 114986435
(3S)-3-[[(2R)-1-(2-bromophenyl)propan-2-yl]amino]butanamide
CID 97102943
3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide
CID 103480356
ethyl 3-(2,6-dibromoanilino)butanoate
CID 107598977
3-(2,6-dibromophenyl)pentanediamide
CID 20546645

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-2-(hydroxymethyl)anilino]butanamide?
The IUPAC name of 3-[3-bromo-2-(hydroxymethyl)anilino]butanamide (CID 115929266) is 3-[3-bromo-2-(hydroxymethyl)anilino]butanamide.
What is the SMILES notation for 3-[3-bromo-2-(hydroxymethyl)anilino]butanamide?
The canonical SMILES for 3-[3-bromo-2-(hydroxymethyl)anilino]butanamide is CC(CC(N)=O)Nc1cccc(Br)c1CO.
What is the InChIKey of 3-[3-bromo-2-(hydroxymethyl)anilino]butanamide?
The InChIKey is XRVXNBZWYWQAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7(5-11(13)16)14-10-4-2-3-9(12)8(10)6-15/h2-4,7,14-15H,5-6H2,1H3,(H2,13,16).
What are the key properties of 3-[3-bromo-2-(hydroxymethyl)anilino]butanamide?
3-[3-bromo-2-(hydroxymethyl)anilino]butanamide has a molecular weight of 287.16 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-2-(hydroxymethyl)anilino]butanamide is sourced from PubChem (CID 115929266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).