5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide

C26H27BrN2O3 — CID 17222040

IUPAC5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2cc(Br)ccc2OCC(C)C)c1)c1ccccc1
InChIInChI=1S/C26H27BrN2O3/c1-4-29(22-11-6-5-7-12-22)26(31)19-9-8-10-21(15-19)28-25(30)23-16-20(27)13-14-24(23)32-17-18(2)3/h5-16,18H,4,17H2,1-3H3,(H,28,30)
InChIKeyYOOGWKDSKDSPNE-UHFFFAOYSA-N
MW495.42 g/mol
LogP6.40
Rot. Bonds8

About 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide

5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide (PubChem CID 17222040) has the molecular formula C26H27BrN2O3 and a molecular weight of 495.42 g/mol. Its IUPAC name is 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
PubChem CID17222040
Molecular FormulaC26H27BrN2O3
Molecular Weight495.42 g/mol
Exact Mass494.12
IUPAC Name5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2cc(Br)ccc2OCC(C)C)c1)c1ccccc1
InChIInChI=1S/C26H27BrN2O3/c1-4-29(22-11-6-5-7-12-22)26(31)19-9-8-10-21(15-19)28-25(30)23-16-20(27)13-14-24(23)32-17-18(2)3/h5-16,18H,4,17H2,1-3H3,(H,28,30)
InChIKeyYOOGWKDSKDSPNE-UHFFFAOYSA-N
XLogP6.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.42
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide
CID 17222029
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17222041
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-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096800
5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227864
5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227875
5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17227881
5-bromo-N-[3-(diethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17194642
5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 17200035
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17204643
N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
CID 17234910

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide (CID 17222040) is 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide is CCN(C(=O)c1cccc(NC(=O)c2cc(Br)ccc2OCC(C)C)c1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is YOOGWKDSKDSPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O3/c1-4-29(22-11-6-5-7-12-22)26(31)19-9-8-10-21(15-19)28-25(30)23-16-20(27)13-14-24(23)32-17-18(2)3/h5-16,18H,4,17H2,1-3H3,(H,28,30).
What are the key properties of 5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide?
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide has a molecular weight of 495.42 g/mol, XLogP of 6.40, 8 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-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17222040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).