2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide

C24H23BrN2O3 — CID 23820277

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide
SMILESCc1ccc(-c2cc(C#N)c(NC(=O)COc3ccc(Br)cc3C(C)(C)C)o2)cc1
InChIInChI=1S/C24H23BrN2O3/c1-15-5-7-16(8-6-15)21-11-17(13-26)23(30-21)27-22(28)14-29-20-10-9-18(25)12-19(20)24(2,3)4/h5-12H,14H2,1-4H3,(H,27,28)
InChIKeyWCVOQFAKMOVTEL-UHFFFAOYSA-N
MW467.36 g/mol
LogP6.20
Rot. Bonds5

About 2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide

2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide (PubChem CID 23820277) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide
PubChem CID23820277
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide
SMILESCc1ccc(-c2cc(C#N)c(NC(=O)COc3ccc(Br)cc3C(C)(C)C)o2)cc1
InChIInChI=1S/C24H23BrN2O3/c1-15-5-7-16(8-6-15)21-11-17(13-26)23(30-21)27-22(28)14-29-20-10-9-18(25)12-19(20)24(2,3)4/h5-12H,14H2,1-4H3,(H,27,28)
InChIKeyWCVOQFAKMOVTEL-UHFFFAOYSA-N
XLogP6.20
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide
CID 23875629
2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide
CID 108763001
N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 7721081
methyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 7707998
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430
2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19171967
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
CID 26160615
5-bromo-2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]benzonitrile
CID 20987774
4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17196833
2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17051867
N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 23880421

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide (CID 23820277) is 2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide is Cc1ccc(-c2cc(C#N)c(NC(=O)COc3ccc(Br)cc3C(C)(C)C)o2)cc1.
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide?
The InChIKey is WCVOQFAKMOVTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-15-5-7-16(8-6-15)21-11-17(13-26)23(30-21)27-22(28)14-29-20-10-9-18(25)12-19(20)24(2,3)4/h5-12H,14H2,1-4H3,(H,27,28).
What are the key properties of 2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide?
2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide has a molecular weight of 467.36 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide is sourced from PubChem (CID 23820277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).