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

C24H23BrN2O3 — CID 26164799

IUPAC5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)c3cc(Br)ccc3OC(C)C)c2)c1
InChIInChI=1S/C24H23BrN2O3/c1-15(2)30-22-11-10-18(25)14-21(22)24(29)27-20-9-5-7-17(13-20)23(28)26-19-8-4-6-16(3)12-19/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeySRDWVTYCQPRKGF-UHFFFAOYSA-N
MW467.36 g/mol
LogP6.05
Rot. Bonds6

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

5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide (PubChem CID 26164799) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
PubChem CID26164799
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)c3cc(Br)ccc3OC(C)C)c2)c1
InChIInChI=1S/C24H23BrN2O3/c1-15(2)30-22-11-10-18(25)14-21(22)24(29)27-20-9-5-7-17(13-20)23(28)26-19-8-4-6-16(3)12-19/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeySRDWVTYCQPRKGF-UHFFFAOYSA-N
XLogP6.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197517
5-bromo-N-[3-(tert-butylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28639516
5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17219067
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26164769
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17227881
5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide
CID 17205565
5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43887269
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17222041
5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
CID 17187649
N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 26165046
5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 17252356

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide (CID 26164799) is 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide is Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(Br)ccc3OC(C)C)c2)c1.
What is the InChIKey of 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide?
The InChIKey is SRDWVTYCQPRKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-15(2)30-22-11-10-18(25)14-21(22)24(29)27-20-9-5-7-17(13-20)23(28)26-19-8-4-6-16(3)12-19/h4-15H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide?
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 467.36 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 26164799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).