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

C24H25BrN2O4 — CID 17051643

IUPAC2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C24H25BrN2O4/c1-24(2,3)19-13-16(25)10-11-21(19)31-15-22(28)27-20-9-5-4-8-18(20)23(29)26-14-17-7-6-12-30-17/h4-13H,14-15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyPWYWTIPPNSGKES-UHFFFAOYSA-N
MW485.38 g/mol
LogP5.29
Rot. Bonds7

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

2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 17051643) has the molecular formula C24H25BrN2O4 and a molecular weight of 485.38 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID17051643
Molecular FormulaC24H25BrN2O4
Molecular Weight485.38 g/mol
Exact Mass484.10
IUPAC Name2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C24H25BrN2O4/c1-24(2,3)19-13-16(25)10-11-21(19)31-15-22(28)27-20-9-5-4-8-18(20)23(29)26-14-17-7-6-12-30-17/h4-13H,14-15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyPWYWTIPPNSGKES-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
4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 28638470
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 4938456
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17051638
N-(furan-2-ylmethyl)-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 4938414
ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19171971
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34658669
5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050831
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4938454
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119
2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 100698722

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 17051643) is 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is PWYWTIPPNSGKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O4/c1-24(2,3)19-13-16(25)10-11-21(19)31-15-22(28)27-20-9-5-4-8-18(20)23(29)26-14-17-7-6-12-30-17/h4-13H,14-15H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[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 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 17051643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).