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

C21H17BrCl2N2O2 — CID 5023749

IUPAC2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
SMILESO=C(COc1ccc(CNc2cccc(Cl)c2)cc1Br)Nc1ccccc1Cl
InChIInChI=1S/C21H17BrCl2N2O2/c22-17-10-14(12-25-16-5-3-4-15(23)11-16)8-9-20(17)28-13-21(27)26-19-7-2-1-6-18(19)24/h1-11,25H,12-13H2,(H,26,27)
InChIKeyKRDRLRXCUGRTDK-UHFFFAOYSA-N
MW480.19 g/mol
LogP6.39
Rot. Bonds7

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

2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide (PubChem CID 5023749) has the molecular formula C21H17BrCl2N2O2 and a molecular weight of 480.19 g/mol. Its IUPAC name is 2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
PubChem CID5023749
Molecular FormulaC21H17BrCl2N2O2
Molecular Weight480.19 g/mol
Exact Mass477.99
IUPAC Name2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
SMILESO=C(COc1ccc(CNc2cccc(Cl)c2)cc1Br)Nc1ccccc1Cl
InChIInChI=1S/C21H17BrCl2N2O2/c22-17-10-14(12-25-16-5-3-4-15(23)11-16)8-9-20(17)28-13-21(27)26-19-7-2-1-6-18(19)24/h1-11,25H,12-13H2,(H,26,27)
InChIKeyKRDRLRXCUGRTDK-UHFFFAOYSA-N
XLogP6.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.19
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-[(4-methoxyanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 126381021
2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 3905264
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 2986546
2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide
CID 3910734
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 4684440
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
2-[2-bromo-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126383789
2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 1213643
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 3925618

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide (CID 5023749) is 2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide is O=C(COc1ccc(CNc2cccc(Cl)c2)cc1Br)Nc1ccccc1Cl.
What is the InChIKey of 2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The InChIKey is KRDRLRXCUGRTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrCl2N2O2/c22-17-10-14(12-25-16-5-3-4-15(23)11-16)8-9-20(17)28-13-21(27)26-19-7-2-1-6-18(19)24/h1-11,25H,12-13H2,(H,26,27).
What are the key properties of 2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide?
2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide has a molecular weight of 480.19 g/mol, XLogP of 6.39, 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-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 5023749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).