2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide

C22H21ClN2O2 — CID 4593347

IUPAC2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C22H21ClN2O2/c1-16-7-10-19(11-8-16)25-22(26)15-27-21-12-9-17(13-20(21)23)14-24-18-5-3-2-4-6-18/h2-13,24H,14-15H2,1H3,(H,25,26)
InChIKeyOVQHEPTTXQQUTM-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.28
Rot. Bonds7

About 2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide

2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 4593347) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
PubChem CID4593347
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C22H21ClN2O2/c1-16-7-10-19(11-8-16)25-22(26)15-27-21-12-9-17(13-20(21)23)14-24-18-5-3-2-4-6-18/h2-13,24H,14-15H2,1H3,(H,25,26)
InChIKeyOVQHEPTTXQQUTM-UHFFFAOYSA-N
XLogP5.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 5210106
2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126267103
2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 3999969
2-[2-chloro-4-[(4-chloroanilino)methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4553213
2-[2-chloro-4-[(4-ethoxyanilino)methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 5022437
2-[2-(anilinomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 66538833
2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide
CID 3910734
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525784
2-[4-[(4-acetamidoanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539076
2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 3905264
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66538843

Frequently Asked Questions

What is the IUPAC name of 2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide (CID 4593347) is 2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Cl)cc1.
What is the InChIKey of 2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is OVQHEPTTXQQUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-16-7-10-19(11-8-16)25-22(26)15-27-21-12-9-17(13-20(21)23)14-24-18-5-3-2-4-6-18/h2-13,24H,14-15H2,1H3,(H,25,26).
What are the key properties of 2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide?
2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 380.88 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4593347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).