N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide

C28H23BrN2O3 — CID 17234918

IUPACN-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
SMILESO=C(Nc1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C28H23BrN2O3/c29-22-14-15-26(34-17-16-20-8-3-1-4-9-20)25(18-22)28(33)31-24-13-7-12-23(19-24)30-27(32)21-10-5-2-6-11-21/h1-15,18-19H,16-17H2,(H,30,32)(H,31,33)
InChIKeyIUHSQVPABHDEPO-UHFFFAOYSA-N
MW515.41 g/mol
LogP6.58
Rot. Bonds8

About N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide

N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide (PubChem CID 17234918) has the molecular formula C28H23BrN2O3 and a molecular weight of 515.41 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
PubChem CID17234918
Molecular FormulaC28H23BrN2O3
Molecular Weight515.41 g/mol
Exact Mass514.09
IUPAC NameN-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
SMILESO=C(Nc1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C28H23BrN2O3/c29-22-14-15-26(34-17-16-20-8-3-1-4-9-20)25(18-22)28(33)31-24-13-7-12-23(19-24)30-27(32)21-10-5-2-6-11-21/h1-15,18-19H,16-17H2,(H,30,32)(H,31,33)
InChIKeyIUHSQVPABHDEPO-UHFFFAOYSA-N
XLogP6.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.41
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17231903
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-phenylethoxy)benzamide
CID 17204640
5-bromo-N-[3-(diethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17194642
5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17098212
N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
CID 17234910
5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086780
5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17200032
5-bromo-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 26158208
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203
N-[4-[[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 17046394
5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17199571
5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142257

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide?
The IUPAC name of N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide (CID 17234918) is N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide?
The canonical SMILES for N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide is O=C(Nc1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide?
The InChIKey is IUHSQVPABHDEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrN2O3/c29-22-14-15-26(34-17-16-20-8-3-1-4-9-20)25(18-22)28(33)31-24-13-7-12-23(19-24)30-27(32)21-10-5-2-6-11-21/h1-15,18-19H,16-17H2,(H,30,32)(H,31,33).
What are the key properties of N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide?
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide has a molecular weight of 515.41 g/mol, XLogP of 6.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17234918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).