4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C24H25BrN2O4 — CID 28638470

IUPAC4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H25BrN2O4/c1-24(2,3)20-13-17(25)8-11-21(20)31-15-22(28)27-18-9-6-16(7-10-18)23(29)26-14-19-5-4-12-30-19/h4-13H,14-15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyFMIUSRHOIOUZOI-UHFFFAOYSA-N
MW485.38 g/mol
LogP5.29
Rot. Bonds7

About 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 28638470) has the molecular formula C24H25BrN2O4 and a molecular weight of 485.38 g/mol. Its IUPAC name is 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID28638470
Molecular FormulaC24H25BrN2O4
Molecular Weight485.38 g/mol
Exact Mass484.10
IUPAC Name4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H25BrN2O4/c1-24(2,3)20-13-17(25)8-11-21(20)31-15-22(28)27-18-9-6-16(7-10-18)23(29)26-14-19-5-4-12-30-19/h4-13H,14-15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyFMIUSRHOIOUZOI-UHFFFAOYSA-N
XLogP5.29
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.38
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7721428
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17051643
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
4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17196833
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 28638354
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430
2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19171967
4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54843018
butyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19166259
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
CID 26160615
5-bromo-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 43887005

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 28638470) is 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is FMIUSRHOIOUZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O4/c1-24(2,3)20-13-17(25)8-11-21(20)31-15-22(28)27-18-9-6-16(7-10-18)23(29)26-14-19-5-4-12-30-19/h4-13H,14-15H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 485.38 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 28638470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).