2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide

C22H21ClN2O3 — CID 2986546

IUPAC2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C22H21ClN2O3/c1-27-21-12-16(14-24-19-9-5-6-17(23)13-19)10-11-20(21)28-15-22(26)25-18-7-3-2-4-8-18/h2-13,24H,14-15H2,1H3,(H,25,26)
InChIKeyLIMZBVSPZWZRNT-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.98
Rot. Bonds8

About 2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide

2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide (PubChem CID 2986546) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
PubChem CID2986546
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C22H21ClN2O3/c1-27-21-12-16(14-24-19-9-5-6-17(23)13-19)10-11-20(21)28-15-22(26)25-18-7-3-2-4-8-18/h2-13,24H,14-15H2,1H3,(H,25,26)
InChIKeyLIMZBVSPZWZRNT-UHFFFAOYSA-N
XLogP4.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3418656
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126264485
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3917191
2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
CID 126273736
2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 3920331
N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 7232445
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4019800
2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126257251
N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
CID 108949928
2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126381244
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126382591

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide (CID 2986546) is 2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide is COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide?
The InChIKey is LIMZBVSPZWZRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-27-21-12-16(14-24-19-9-5-6-17(23)13-19)10-11-20(21)28-15-22(26)25-18-7-3-2-4-8-18/h2-13,24H,14-15H2,1H3,(H,25,26).
What are the key properties of 2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide?
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide has a molecular weight of 396.87 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 2986546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).