2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C20H22Cl2N2O2 — CID 113179624

IUPAC2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-12(2)16-7-5-6-13(3)20(16)23-19(26)11-24(14(4)25)18-9-8-15(21)10-17(18)22/h5-10,12H,11H2,1-4H3,(H,23,26)
InChIKeyQRCXLJHVRFPLJA-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.42
Rot. Bonds5

About 2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 113179624) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID113179624
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-12(2)16-7-5-6-13(3)20(16)23-19(26)11-24(14(4)25)18-9-8-15(21)10-17(18)22/h5-10,12H,11H2,1-4H3,(H,23,26)
InChIKeyQRCXLJHVRFPLJA-UHFFFAOYSA-N
XLogP5.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,4-dichloroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113179621
2-(N-acetyl-3,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113179490
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113181475
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113172088
2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113167564
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113165479
2-(N-acetyl-2-ethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113173778
2-(N,3-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175474
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113169502
2-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175648
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
2-(N-acetyl-2,4-dichloroanilino)-N-propan-2-ylacetamide
CID 113179538

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 113179624) is 2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is QRCXLJHVRFPLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-12(2)16-7-5-6-13(3)20(16)23-19(26)11-24(14(4)25)18-9-8-15(21)10-17(18)22/h5-10,12H,11H2,1-4H3,(H,23,26).
What are the key properties of 2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 393.31 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113179624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).