N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide

C24H21BrClNO3 — CID 19202630

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C24H21BrClNO3/c1-2-6-16-9-12-22(20(25)13-16)30-15-23(28)27-21-11-10-18(26)14-19(21)24(29)17-7-4-3-5-8-17/h3-5,7-14H,2,6,15H2,1H3,(H,27,28)
InChIKeyROJIYZMXNLOTJD-UHFFFAOYSA-N
MW486.79 g/mol
LogP6.30
Rot. Bonds8

About N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide

N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide (PubChem CID 19202630) has the molecular formula C24H21BrClNO3 and a molecular weight of 486.79 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
PubChem CID19202630
Molecular FormulaC24H21BrClNO3
Molecular Weight486.79 g/mol
Exact Mass485.04
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C24H21BrClNO3/c1-2-6-16-9-12-22(20(25)13-16)30-15-23(28)27-21-11-10-18(26)14-19(21)24(29)17-7-4-3-5-8-17/h3-5,7-14H,2,6,15H2,1H3,(H,27,28)
InChIKeyROJIYZMXNLOTJD-UHFFFAOYSA-N
XLogP6.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.79
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]benzoic acid
CID 53264106
2-(2-bromo-4-propylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 19202395
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
2-(2-benzoyl-4-chlorophenoxy)-N-(2-methylphenyl)acetamide;ethane
CID 142824393
N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide
CID 1182886
2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 19201692
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
CID 19201978
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide (CID 19202630) is N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(Br)c1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide?
The InChIKey is ROJIYZMXNLOTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrClNO3/c1-2-6-16-9-12-22(20(25)13-16)30-15-23(28)27-21-11-10-18(26)14-19(21)24(29)17-7-4-3-5-8-17/h3-5,7-14H,2,6,15H2,1H3,(H,27,28).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide has a molecular weight of 486.79 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide is sourced from PubChem (CID 19202630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).