5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide

C22H26BrNO4 — CID 17170286

IUPAC5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C22H26BrNO4/c1-15(2)13-27-20-10-9-16(23)12-18(20)22(25)24-19-7-3-4-8-21(19)28-14-17-6-5-11-26-17/h3-4,7-10,12,15,17H,5-6,11,13-14H2,1-2H3,(H,24,25)
InChIKeyPIAQYSUXCBPYQF-UHFFFAOYSA-N
MW448.36 g/mol
LogP5.29
Rot. Bonds8

About 5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide

5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 17170286) has the molecular formula C22H26BrNO4 and a molecular weight of 448.36 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID17170286
Molecular FormulaC22H26BrNO4
Molecular Weight448.36 g/mol
Exact Mass447.10
IUPAC Name5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C22H26BrNO4/c1-15(2)13-27-20-10-9-16(23)12-18(20)22(25)24-19-7-3-4-8-21(19)28-14-17-6-5-11-26-17/h3-4,7-10,12,15,17H,5-6,11,13-14H2,1-2H3,(H,24,25)
InChIKeyPIAQYSUXCBPYQF-UHFFFAOYSA-N
XLogP5.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.36
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130986
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4945492
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9206549
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17170194
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337
5-bromo-2-ethoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074427

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 17170286) is 5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide is CC(C)COc1ccc(Br)cc1C(=O)Nc1ccccc1OCC1CCCO1.
What is the InChIKey of 5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is PIAQYSUXCBPYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrNO4/c1-15(2)13-27-20-10-9-16(23)12-18(20)22(25)24-19-7-3-4-8-21(19)28-14-17-6-5-11-26-17/h3-4,7-10,12,15,17H,5-6,11,13-14H2,1-2H3,(H,24,25).
What are the key properties of 5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 448.36 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 17170286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).