5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide

C25H25BrN2O3 — CID 17222041

IUPAC5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2cc(Br)ccc2OC(C)C)c1)c1ccccc1
InChIInChI=1S/C25H25BrN2O3/c1-4-28(21-11-6-5-7-12-21)25(30)18-9-8-10-20(15-18)27-24(29)22-16-19(26)13-14-23(22)31-17(2)3/h5-17H,4H2,1-3H3,(H,27,29)
InChIKeySQFAVYQECXKACG-UHFFFAOYSA-N
MW481.39 g/mol
LogP6.16
Rot. Bonds7

About 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide

5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide (PubChem CID 17222041) has the molecular formula C25H25BrN2O3 and a molecular weight of 481.39 g/mol. Its IUPAC name is 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
PubChem CID17222041
Molecular FormulaC25H25BrN2O3
Molecular Weight481.39 g/mol
Exact Mass480.10
IUPAC Name5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2cc(Br)ccc2OC(C)C)c1)c1ccccc1
InChIInChI=1S/C25H25BrN2O3/c1-4-28(21-11-6-5-7-12-21)25(30)18-9-8-10-20(15-18)27-24(29)22-16-19(26)13-14-23(22)31-17(2)3/h5-17H,4H2,1-3H3,(H,27,29)
InChIKeySQFAVYQECXKACG-UHFFFAOYSA-N
XLogP6.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17222040
5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide
CID 17222029
5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17227881
N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17222182
5-bromo-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17222173
5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide
CID 17229681
5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197517
5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17219067
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 26164799
3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide
CID 17355153
5-bromo-N-[3-(tert-butylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28639516
5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227864

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide (CID 17222041) is 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide is CCN(C(=O)c1cccc(NC(=O)c2cc(Br)ccc2OC(C)C)c1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide?
The InChIKey is SQFAVYQECXKACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O3/c1-4-28(21-11-6-5-7-12-21)25(30)18-9-8-10-20(15-18)27-24(29)22-16-19(26)13-14-23(22)31-17(2)3/h5-17H,4H2,1-3H3,(H,27,29).
What are the key properties of 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide?
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 481.39 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17222041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).