2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide

C13H17BrN2O2 — CID 82837995

IUPAC2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide
SMILESCC1CCC(C(Nc2cccc(Br)c2)C(N)=O)O1
InChIInChI=1S/C13H17BrN2O2/c1-8-5-6-11(18-8)12(13(15)17)16-10-4-2-3-9(14)7-10/h2-4,7-8,11-12,16H,5-6H2,1H3,(H2,15,17)
InChIKeyBOACYDGIEAZQSR-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.28
Rot. Bonds4

About 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide

2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide (PubChem CID 82837995) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide
PubChem CID82837995
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide
SMILESCC1CCC(C(Nc2cccc(Br)c2)C(N)=O)O1
InChIInChI=1S/C13H17BrN2O2/c1-8-5-6-11(18-8)12(13(15)17)16-10-4-2-3-9(14)7-10/h2-4,7-8,11-12,16H,5-6H2,1H3,(H2,15,17)
InChIKeyBOACYDGIEAZQSR-UHFFFAOYSA-N
XLogP2.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82837834
2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide
CID 82837092
2-(3-bromoanilino)-2-cyclopentylacetamide
CID 62069844
methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82837161
2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid
CID 82838074
ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82840137
3-amino-2-(3-bromoanilino)-3-oxopropanoic acid
CID 67723108
2-cyclohexyl-2-(3-methylanilino)acetamide
CID 54892215
2-(3-fluoro-5-methylanilino)-2-(5-methyloxolan-2-yl)acetic acid
CID 82838300
2-(3-bromoanilino)-3-hydroxypropanamide
CID 104711177
2-(3-bromoanilino)pentanamide
CID 61005208
2-(3-bromoanilino)-2-cyclopropylpropanamide
CID 61006538

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide?
The IUPAC name of 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide (CID 82837995) is 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide?
The canonical SMILES for 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide is CC1CCC(C(Nc2cccc(Br)c2)C(N)=O)O1.
What is the InChIKey of 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide?
The InChIKey is BOACYDGIEAZQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-8-5-6-11(18-8)12(13(15)17)16-10-4-2-3-9(14)7-10/h2-4,7-8,11-12,16H,5-6H2,1H3,(H2,15,17).
What are the key properties of 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide?
2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide has a molecular weight of 313.19 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide is sourced from PubChem (CID 82837995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).