5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide

C20H24BrNO3 — CID 17096800

IUPAC5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
SMILESCCCOc1cccc(NC(=O)c2cc(Br)ccc2OCC(C)C)c1
InChIInChI=1S/C20H24BrNO3/c1-4-10-24-17-7-5-6-16(12-17)22-20(23)18-11-15(21)8-9-19(18)25-13-14(2)3/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,22,23)
InChIKeyCWRFRYMDUHTBFM-UHFFFAOYSA-N
MW406.32 g/mol
LogP5.53
Rot. Bonds8

About 5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide

5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide (PubChem CID 17096800) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
PubChem CID17096800
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
SMILESCCCOc1cccc(NC(=O)c2cc(Br)ccc2OCC(C)C)c1
InChIInChI=1S/C20H24BrNO3/c1-4-10-24-17-7-5-6-16(12-17)22-20(23)18-11-15(21)8-9-19(18)25-13-14(2)3/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,22,23)
InChIKeyCWRFRYMDUHTBFM-UHFFFAOYSA-N
XLogP5.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.32
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17169902
5-bromo-2-ethoxy-N-(3-hexoxyphenyl)benzamide
CID 17094854
5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154784
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17204643
5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide
CID 54788444
5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130986
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17222040
2-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096796
2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate
CID 9323999

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide?
The IUPAC name of 5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide (CID 17096800) is 5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide?
The canonical SMILES for 5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide is CCCOc1cccc(NC(=O)c2cc(Br)ccc2OCC(C)C)c1.
What is the InChIKey of 5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide?
The InChIKey is CWRFRYMDUHTBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-4-10-24-17-7-5-6-16(12-17)22-20(23)18-11-15(21)8-9-19(18)25-13-14(2)3/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,22,23).
What are the key properties of 5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide?
5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide has a molecular weight of 406.32 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide is sourced from PubChem (CID 17096800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).