2-(3-bromoanilino)-3-hydroxypropanamide

C9H11BrN2O2 — CID 104711177

IUPAC2-(3-bromoanilino)-3-hydroxypropanamide
SMILESNC(=O)C(CO)Nc1cccc(Br)c1
InChIInChI=1S/C9H11BrN2O2/c10-6-2-1-3-7(4-6)12-8(5-13)9(11)14/h1-4,8,12-13H,5H2,(H2,11,14)
InChIKeyFBMJSNJYRMENHL-UHFFFAOYSA-N
MW259.10 g/mol
LogP0.71
Rot. Bonds4

About 2-(3-bromoanilino)-3-hydroxypropanamide

2-(3-bromoanilino)-3-hydroxypropanamide (PubChem CID 104711177) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(3-bromoanilino)-3-hydroxypropanamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-3-hydroxypropanamide
PubChem CID104711177
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(3-bromoanilino)-3-hydroxypropanamide
SMILESNC(=O)C(CO)Nc1cccc(Br)c1
InChIInChI=1S/C9H11BrN2O2/c10-6-2-1-3-7(4-6)12-8(5-13)9(11)14/h1-4,8,12-13H,5H2,(H2,11,14)
InChIKeyFBMJSNJYRMENHL-UHFFFAOYSA-N
XLogP0.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-(3-methylanilino)propanamide
CID 104711172
2-(3-bromoanilino)pentanamide
CID 61005208
2-(3-fluoroanilino)-3-hydroxypropanamide
CID 104711180
2-(3-bromoanilino)nonanamide
CID 54892272
3-amino-2-(3-bromoanilino)-3-oxopropanoic acid
CID 67723108
2-(3-bromoanilino)-4-methylpentanoic acid
CID 60993001
2-(3-bromoanilino)-3-phenylpropanoic acid
CID 54890868
2-(3-bromoanilino)-2-(4-bromo-2-fluorophenyl)acetamide
CID 61005304
methyl 2-(3-bromoanilino)hexanoate
CID 61351760
2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61006544
2-(3-bromoanilino)-2-cyclopentylacetamide
CID 62069844
2-(3-bromoanilino)-2-(4-chlorophenyl)acetamide
CID 54891742

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-3-hydroxypropanamide?
The IUPAC name of 2-(3-bromoanilino)-3-hydroxypropanamide (CID 104711177) is 2-(3-bromoanilino)-3-hydroxypropanamide.
What is the SMILES notation for 2-(3-bromoanilino)-3-hydroxypropanamide?
The canonical SMILES for 2-(3-bromoanilino)-3-hydroxypropanamide is NC(=O)C(CO)Nc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)-3-hydroxypropanamide?
The InChIKey is FBMJSNJYRMENHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-6-2-1-3-7(4-6)12-8(5-13)9(11)14/h1-4,8,12-13H,5H2,(H2,11,14).
What are the key properties of 2-(3-bromoanilino)-3-hydroxypropanamide?
2-(3-bromoanilino)-3-hydroxypropanamide has a molecular weight of 259.10 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-3-hydroxypropanamide is sourced from PubChem (CID 104711177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).