2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide

C17H19ClN2O2 — CID 9102968

IUPAC2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CNc1cc(Cl)ccc1C
InChIInChI=1S/C17H19ClN2O2/c1-3-22-16-7-5-4-6-14(16)20-17(21)11-19-15-10-13(18)9-8-12(15)2/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyHJFQYVVCTRNDFD-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.10
Rot. Bonds6

About 2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide

2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide (PubChem CID 9102968) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
PubChem CID9102968
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CNc1cc(Cl)ccc1C
InChIInChI=1S/C17H19ClN2O2/c1-3-22-16-7-5-4-6-14(16)20-17(21)11-19-15-10-13(18)9-8-12(15)2/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyHJFQYVVCTRNDFD-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide (CID 9102968) is 2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CNc1cc(Cl)ccc1C.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is HJFQYVVCTRNDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-3-22-16-7-5-4-6-14(16)20-17(21)11-19-15-10-13(18)9-8-12(15)2/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide?
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 318.80 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 9102968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).