2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide

C13H16BrClN2O2 — CID 82837092

IUPAC2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide
SMILESCC1CCC(C(Nc2ccc(Cl)c(Br)c2)C(N)=O)O1
InChIInChI=1S/C13H16BrClN2O2/c1-7-2-5-11(19-7)12(13(16)18)17-8-3-4-10(15)9(14)6-8/h3-4,6-7,11-12,17H,2,5H2,1H3,(H2,16,18)
InChIKeySUMUOZAGIAMYRW-UHFFFAOYSA-N
MW347.64 g/mol
LogP2.94
Rot. Bonds4

About 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide

2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide (PubChem CID 82837092) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide
PubChem CID82837092
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide
SMILESCC1CCC(C(Nc2ccc(Cl)c(Br)c2)C(N)=O)O1
InChIInChI=1S/C13H16BrClN2O2/c1-7-2-5-11(19-7)12(13(16)18)17-8-3-4-10(15)9(14)6-8/h3-4,6-7,11-12,17H,2,5H2,1H3,(H2,16,18)
InChIKeySUMUOZAGIAMYRW-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide
CID 82837995
2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetonitrile
CID 82836980
methyl 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82837834
2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide
CID 106528880
2-(3-fluoro-5-methylanilino)-2-(5-methyloxolan-2-yl)acetic acid
CID 82838300
2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-fluorophenyl)acetamide
CID 81146753
2-(3-bromo-4-chloroanilino)-2-(4-chloro-2-fluorophenyl)acetamide
CID 114843602
methyl 2-(3-bromo-4-chloroanilino)-4-methoxy-3-methylbutanoate
CID 116501974
2-(3-bromo-4-carbamoylanilino)-2-cyclopropylacetic acid
CID 107275436
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-bromo-4-chlorobenzamide
CID 107999073
[(2,5-dichlorophenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105302085
N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2653002

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide?
The IUPAC name of 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide (CID 82837092) is 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide.
What is the SMILES notation for 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide?
The canonical SMILES for 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide is CC1CCC(C(Nc2ccc(Cl)c(Br)c2)C(N)=O)O1.
What is the InChIKey of 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide?
The InChIKey is SUMUOZAGIAMYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-7-2-5-11(19-7)12(13(16)18)17-8-3-4-10(15)9(14)6-8/h3-4,6-7,11-12,17H,2,5H2,1H3,(H2,16,18).
What are the key properties of 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide?
2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide has a molecular weight of 347.64 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide is sourced from PubChem (CID 82837092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).