2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide

C22H19BrCl2N2O2 — CID 126262894

IUPAC2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Br)cc1Cl
InChIInChI=1S/C22H19BrCl2N2O2/c1-14-2-6-18(11-20(14)25)27-22(28)13-29-21-9-3-15(10-19(21)23)12-26-17-7-4-16(24)5-8-17/h2-11,26H,12-13H2,1H3,(H,27,28)
InChIKeyPEGVWZGRLORHJT-UHFFFAOYSA-N
MW494.22 g/mol
LogP6.69
Rot. Bonds7

About 2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide

2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 126262894) has the molecular formula C22H19BrCl2N2O2 and a molecular weight of 494.22 g/mol. Its IUPAC name is 2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID126262894
Molecular FormulaC22H19BrCl2N2O2
Molecular Weight494.22 g/mol
Exact Mass492.00
IUPAC Name2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Br)cc1Cl
InChIInChI=1S/C22H19BrCl2N2O2/c1-14-2-6-18(11-20(14)25)27-22(28)13-29-21-9-3-15(10-19(21)23)12-26-17-7-4-16(24)5-8-17/h2-11,26H,12-13H2,1H3,(H,27,28)
InChIKeyPEGVWZGRLORHJT-UHFFFAOYSA-N
XLogP6.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.22
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126267103
2-[2-chloro-4-[(4-chloroanilino)methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4553213
2-[4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126272760
2-[2-bromo-4-[(4-chloroanilino)methyl]-6-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126259843
2-[2-bromo-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 5210106
2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273143
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126254566
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 3575641
2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 3920331
2-[2-bromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126268263
2-[4-[(4-bromoanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 4308481
2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide
CID 3910734

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide (CID 126262894) is 2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Br)cc1Cl.
What is the InChIKey of 2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is PEGVWZGRLORHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrCl2N2O2/c1-14-2-6-18(11-20(14)25)27-22(28)13-29-21-9-3-15(10-19(21)23)12-26-17-7-4-16(24)5-8-17/h2-11,26H,12-13H2,1H3,(H,27,28).
What are the key properties of 2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 494.22 g/mol, XLogP of 6.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 126262894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).