3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide

C19H22BrNO3 — CID 17150992

IUPAC3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Br
InChIInChI=1S/C19H22BrNO3/c1-12(2)23-17-10-9-14(11-15(17)20)19(22)21-16-7-5-6-8-18(16)24-13(3)4/h5-13H,1-4H3,(H,21,22)
InChIKeyYZFQILVDYCFQJR-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.28
Rot. Bonds6

About 3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide

3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide (PubChem CID 17150992) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
PubChem CID17150992
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Br
InChIInChI=1S/C19H22BrNO3/c1-12(2)23-17-10-9-14(11-15(17)20)19(22)21-16-7-5-6-8-18(16)24-13(3)4/h5-13H,1-4H3,(H,21,22)
InChIKeyYZFQILVDYCFQJR-UHFFFAOYSA-N
XLogP5.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
CID 17355255
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130977
3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide
CID 17355174
3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355169
N-[4-[[(3-bromo-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17355526
3-bromo-N-(2,5-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355192
3-bromo-N-[(2-bromophenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17355765
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide
CID 17355171

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide (CID 17150992) is 3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Br.
What is the InChIKey of 3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide?
The InChIKey is YZFQILVDYCFQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-12(2)23-17-10-9-14(11-15(17)20)19(22)21-16-7-5-6-8-18(16)24-13(3)4/h5-13H,1-4H3,(H,21,22).
What are the key properties of 3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide?
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide has a molecular weight of 392.29 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 17150992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).