N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide

C22H17BrClNO3 — CID 3526024

IUPACN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H17BrClNO3/c1-2-28-16-10-7-14(8-11-16)22(27)25-20-12-9-15(23)13-18(20)21(26)17-5-3-4-6-19(17)24/h3-13H,2H2,1H3,(H,25,27)
InChIKeyTUOCNAOMUYHZRZ-UHFFFAOYSA-N
MW458.74 g/mol
LogP5.98
Rot. Bonds6

About N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide

N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide (PubChem CID 3526024) has the molecular formula C22H17BrClNO3 and a molecular weight of 458.74 g/mol. Its IUPAC name is N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide
PubChem CID3526024
Molecular FormulaC22H17BrClNO3
Molecular Weight458.74 g/mol
Exact Mass457.01
IUPAC NameN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H17BrClNO3/c1-2-28-16-10-7-14(8-11-16)22(27)25-20-12-9-15(23)13-18(20)21(26)17-5-3-4-6-19(17)24/h3-13H,2H2,1H3,(H,25,27)
InChIKeyTUOCNAOMUYHZRZ-UHFFFAOYSA-N
XLogP5.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.74
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide
CID 23878524
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043
5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
CID 2258349
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide
CID 27163290
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9492712
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952514
[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl] propanoate
CID 2993801

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide?
The IUPAC name of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide (CID 3526024) is N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide?
The InChIKey is TUOCNAOMUYHZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrClNO3/c1-2-28-16-10-7-14(8-11-16)22(27)25-20-12-9-15(23)13-18(20)21(26)17-5-3-4-6-19(17)24/h3-13H,2H2,1H3,(H,25,27).
What are the key properties of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide?
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide has a molecular weight of 458.74 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide is sourced from PubChem (CID 3526024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).