3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide

C22H18BrClN2O3 — CID 26164499

IUPAC3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Br)c2)c1
InChIInChI=1S/C22H18BrClN2O3/c1-14-4-2-6-17(10-14)26-22(28)15-5-3-7-18(11-15)25-21(27)13-29-20-9-8-16(24)12-19(20)23/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyNFCZUYHGXFENFI-UHFFFAOYSA-N
MW473.75 g/mol
LogP5.68
Rot. Bonds6

About 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide

3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 26164499) has the molecular formula C22H18BrClN2O3 and a molecular weight of 473.75 g/mol. Its IUPAC name is 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID26164499
Molecular FormulaC22H18BrClN2O3
Molecular Weight473.75 g/mol
Exact Mass472.02
IUPAC Name3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Br)c2)c1
InChIInChI=1S/C22H18BrClN2O3/c1-14-4-2-6-17(10-14)26-22(28)15-5-3-7-18(11-15)25-21(27)13-29-20-9-8-16(24)12-19(20)23/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyNFCZUYHGXFENFI-UHFFFAOYSA-N
XLogP5.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.75
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 25431218
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 5245314
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230671
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222636
3-bromo-4-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707266
2-(2-amino-4-chlorophenoxy)-N-(3-methylphenyl)acetamide
CID 24695483
5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707257
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 43877944

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide (CID 26164499) is 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Br)c2)c1.
What is the InChIKey of 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is NFCZUYHGXFENFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN2O3/c1-14-4-2-6-17(10-14)26-22(28)15-5-3-7-18(11-15)25-21(27)13-29-20-9-8-16(24)12-19(20)23/h2-12H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide?
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 473.75 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 26164499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).