5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide

C24H23BrN2O4 — CID 17231426

IUPAC5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C24H23BrN2O4/c1-16(2)31-22-12-11-17(25)13-21(22)24(29)27-19-8-6-7-18(14-19)26-23(28)15-30-20-9-4-3-5-10-20/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPPCDFXYTDJFHGA-UHFFFAOYSA-N
MW483.36 g/mol
LogP5.51
Rot. Bonds8

About 5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide

5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide (PubChem CID 17231426) has the molecular formula C24H23BrN2O4 and a molecular weight of 483.36 g/mol. Its IUPAC name is 5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide
PubChem CID17231426
Molecular FormulaC24H23BrN2O4
Molecular Weight483.36 g/mol
Exact Mass482.08
IUPAC Name5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C24H23BrN2O4/c1-16(2)31-22-12-11-17(25)13-21(22)24(29)27-19-8-6-7-18(14-19)26-23(28)15-30-20-9-4-3-5-10-20/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPPCDFXYTDJFHGA-UHFFFAOYSA-N
XLogP5.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.36
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
CID 17187649
2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154711
5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154784
5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707
5-bromo-N-[(3-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17086253
5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197517
5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide
CID 17051555
2-(4-phenylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154728
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 26164799
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide (CID 17231426) is 5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1.
What is the InChIKey of 5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide?
The InChIKey is PPCDFXYTDJFHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O4/c1-16(2)31-22-12-11-17(25)13-21(22)24(29)27-19-8-6-7-18(14-19)26-23(28)15-30-20-9-4-3-5-10-20/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide?
5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 483.36 g/mol, XLogP of 5.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17231426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).