N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide

C23H22BrNO2 — CID 53268008

IUPACN-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide
SMILESCCc1ccc(NC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C23H22BrNO2/c1-3-17-9-14-22(21(24)15-17)25-23(26)16(2)27-20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-16H,3H2,1-2H3,(H,25,26)
InChIKeyLTBISNRRLHZUPP-UHFFFAOYSA-N
MW424.34 g/mol
LogP6.08
Rot. Bonds6

About N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide

N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide (PubChem CID 53268008) has the molecular formula C23H22BrNO2 and a molecular weight of 424.34 g/mol. Its IUPAC name is N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide
PubChem CID53268008
Molecular FormulaC23H22BrNO2
Molecular Weight424.34 g/mol
Exact Mass423.08
IUPAC NameN-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide
SMILESCCc1ccc(NC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C23H22BrNO2/c1-3-17-9-14-22(21(24)15-17)25-23(26)16(2)27-20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-16H,3H2,1-2H3,(H,25,26)
InChIKeyLTBISNRRLHZUPP-UHFFFAOYSA-N
XLogP6.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.34
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide 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

N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 2969056
(2R)-N-(2-bromophenyl)-2-(4-ethylphenoxy)propanamide
CID 9236709
N-(2-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191511
N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide
CID 53268266
N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53268112
N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide
CID 53268387
2-(4-ethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 17093767
N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide
CID 53268285
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
N-(2-chlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953273
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
N-(4-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191556

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide (CID 53268008) is N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide is CCc1ccc(NC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide?
The InChIKey is LTBISNRRLHZUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO2/c1-3-17-9-14-22(21(24)15-17)25-23(26)16(2)27-20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-16H,3H2,1-2H3,(H,25,26).
What are the key properties of N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide?
N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide has a molecular weight of 424.34 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 53268008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).