2-(3-bromoanilino)-2-cyclopentylacetamide

C13H17BrN2O — CID 62069844

IUPAC2-(3-bromoanilino)-2-cyclopentylacetamide
SMILESNC(=O)C(Nc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C13H17BrN2O/c14-10-6-3-7-11(8-10)16-12(13(15)17)9-4-1-2-5-9/h3,6-9,12,16H,1-2,4-5H2,(H2,15,17)
InChIKeyOGJOCKGQVMKKSF-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.91
Rot. Bonds4

About 2-(3-bromoanilino)-2-cyclopentylacetamide

2-(3-bromoanilino)-2-cyclopentylacetamide (PubChem CID 62069844) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-cyclopentylacetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-cyclopentylacetamide
PubChem CID62069844
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-(3-bromoanilino)-2-cyclopentylacetamide
SMILESNC(=O)C(Nc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C13H17BrN2O/c14-10-6-3-7-11(8-10)16-12(13(15)17)9-4-1-2-5-9/h3,6-9,12,16H,1-2,4-5H2,(H2,15,17)
InChIKeyOGJOCKGQVMKKSF-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-(3-methylanilino)acetamide
CID 54892215
2-(3-chloroanilino)-2-cyclohexylacetamide
CID 54892064
2-anilino-2-cyclohexylacetamide
CID 54889288
2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide
CID 82837995
3-amino-2-(3-bromoanilino)-3-oxopropanoic acid
CID 67723108
methyl (2R)-3-(3-bromoanilino)-2-cyclopentyl-3-oxopropanoate
CID 1331267
2-(3-bromoanilino)-3-hydroxypropanamide
CID 104711177
2-(3-chloroanilino)-2-cyclopentylacetic acid
CID 55035047
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide
CID 61124988
methyl 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82837834
2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide
CID 54892109
2-(3-bromoanilino)pentanamide
CID 61005208

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-cyclopentylacetamide?
The IUPAC name of 2-(3-bromoanilino)-2-cyclopentylacetamide (CID 62069844) is 2-(3-bromoanilino)-2-cyclopentylacetamide.
What is the SMILES notation for 2-(3-bromoanilino)-2-cyclopentylacetamide?
The canonical SMILES for 2-(3-bromoanilino)-2-cyclopentylacetamide is NC(=O)C(Nc1cccc(Br)c1)C1CCCC1.
What is the InChIKey of 2-(3-bromoanilino)-2-cyclopentylacetamide?
The InChIKey is OGJOCKGQVMKKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-10-6-3-7-11(8-10)16-12(13(15)17)9-4-1-2-5-9/h3,6-9,12,16H,1-2,4-5H2,(H2,15,17).
What are the key properties of 2-(3-bromoanilino)-2-cyclopentylacetamide?
2-(3-bromoanilino)-2-cyclopentylacetamide has a molecular weight of 297.20 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-cyclopentylacetamide is sourced from PubChem (CID 62069844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).