5-(2-bromoanilino)-5-oxopentanoate

C11H11BrNO3- — CID 6939173

IUPAC5-(2-bromoanilino)-5-oxopentanoate
SMILESO=C([O-])CCCC(=O)Nc1ccccc1Br
InChIInChI=1S/C11H12BrNO3/c12-8-4-1-2-5-9(8)13-10(14)6-3-7-11(15)16/h1-2,4-5H,3,6-7H2,(H,13,14)(H,15,16)/p-1
InChIKeyDMHIWDJSYZFEHU-UHFFFAOYSA-M
MW285.12 g/mol
LogP1.31
Rot. Bonds5

About 5-(2-bromoanilino)-5-oxopentanoate

5-(2-bromoanilino)-5-oxopentanoate (PubChem CID 6939173) has the molecular formula C11H11BrNO3- and a molecular weight of 285.12 g/mol. Its IUPAC name is 5-(2-bromoanilino)-5-oxopentanoate.

Molecular Properties

Compound Name5-(2-bromoanilino)-5-oxopentanoate
PubChem CID6939173
Molecular FormulaC11H11BrNO3-
Molecular Weight285.12 g/mol
Exact Mass283.99
IUPAC Name5-(2-bromoanilino)-5-oxopentanoate
SMILESO=C([O-])CCCC(=O)Nc1ccccc1Br
InChIInChI=1S/C11H12BrNO3/c12-8-4-1-2-5-9(8)13-10(14)6-3-7-11(15)16/h1-2,4-5H,3,6-7H2,(H,13,14)(H,15,16)/p-1
InChIKeyDMHIWDJSYZFEHU-UHFFFAOYSA-M
XLogP1.31
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromoanilino)-4-oxobutanoate
CID 6935665
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789
N-(2-bromophenyl)butanamide
CID 732405
5-amino-N-(2-bromophenyl)hexanamide
CID 82848124
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
4-(2-hydroxyanilino)-4-oxobutanoate
CID 3615801
2,2,3,3-tetrafluoropropyl 5-(2-bromoanilino)-5-oxopentanoate
CID 4274751
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474
N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998600
N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 47148429
N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide
CID 51194781

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)-5-oxopentanoate?
The IUPAC name of 5-(2-bromoanilino)-5-oxopentanoate (CID 6939173) is 5-(2-bromoanilino)-5-oxopentanoate.
What is the SMILES notation for 5-(2-bromoanilino)-5-oxopentanoate?
The canonical SMILES for 5-(2-bromoanilino)-5-oxopentanoate is O=C([O-])CCCC(=O)Nc1ccccc1Br.
What is the InChIKey of 5-(2-bromoanilino)-5-oxopentanoate?
The InChIKey is DMHIWDJSYZFEHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12BrNO3/c12-8-4-1-2-5-9(8)13-10(14)6-3-7-11(15)16/h1-2,4-5H,3,6-7H2,(H,13,14)(H,15,16)/p-1.
What are the key properties of 5-(2-bromoanilino)-5-oxopentanoate?
5-(2-bromoanilino)-5-oxopentanoate has a molecular weight of 285.12 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoanilino)-5-oxopentanoate is sourced from PubChem (CID 6939173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).