2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide

C20H23ClN2O2 — CID 113172088

IUPAC2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(C(C)=O)c1ccc(Cl)cc1C
InChIInChI=1S/C20H23ClN2O2/c1-5-16-8-6-7-13(2)20(16)22-19(25)12-23(15(4)24)18-10-9-17(21)11-14(18)3/h6-11H,5,12H2,1-4H3,(H,22,25)
InChIKeyHDMIZFVPPOHYFH-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.51
Rot. Bonds5

About 2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide

2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 113172088) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID113172088
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(C(C)=O)c1ccc(Cl)cc1C
InChIInChI=1S/C20H23ClN2O2/c1-5-16-8-6-7-13(2)20(16)22-19(25)12-23(15(4)24)18-10-9-17(21)11-14(18)3/h6-11H,5,12H2,1-4H3,(H,22,25)
InChIKeyHDMIZFVPPOHYFH-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113167956
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methylphenyl)acetamide
CID 113172073
2-(N-acetyl-3,4-dichloroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113179486
2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 113172074
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,6-diethylphenyl)acetamide
CID 113172865
2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113169512
3-(N-acetyl-2,4-dimethylanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113124213
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126413987
2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113179624
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113169493

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (CID 113172088) is 2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN(C(C)=O)c1ccc(Cl)cc1C.
What is the InChIKey of 2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is HDMIZFVPPOHYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-5-16-8-6-7-13(2)20(16)22-19(25)12-23(15(4)24)18-10-9-17(21)11-14(18)3/h6-11H,5,12H2,1-4H3,(H,22,25).
What are the key properties of 2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 358.87 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 113172088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).