2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide

C14H17BrN2O2 — CID 7815599

IUPAC2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O2/c1-10(2)14(3,9-16)17-13(18)8-19-12-6-4-11(15)5-7-12/h4-7,10H,8H2,1-3H3,(H,17,18)/t14-/m1/s1
InChIKeyXRUPHJMTPJIBBD-CQSZACIVSA-N
MW325.21 g/mol
LogP2.88
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide

2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide (PubChem CID 7815599) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
PubChem CID7815599
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O2/c1-10(2)14(3,9-16)17-13(18)8-19-12-6-4-11(15)5-7-12/h4-7,10H,8H2,1-3H3,(H,17,18)/t14-/m1/s1
InChIKeyXRUPHJMTPJIBBD-CQSZACIVSA-N
XLogP2.88
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide (CID 7815599) is 2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide is CC(C)[C@@](C)(C#N)NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The InChIKey is XRUPHJMTPJIBBD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10(2)14(3,9-16)17-13(18)8-19-12-6-4-11(15)5-7-12/h4-7,10H,8H2,1-3H3,(H,17,18)/t14-/m1/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide has a molecular weight of 325.21 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 7815599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).