2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide

C20H22ClN3O3 — CID 113175984

IUPAC2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2Cl)C(C)=O)cc1
InChIInChI=1S/C20H22ClN3O3/c1-12-9-13(2)20(18(21)10-12)23-19(27)11-24(15(4)26)17-7-5-16(6-8-17)22-14(3)25/h5-10H,11H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyCWUXBWDRULMPQH-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.91
Rot. Bonds5

About 2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide

2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 113175984) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID113175984
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2Cl)C(C)=O)cc1
InChIInChI=1S/C20H22ClN3O3/c1-12-9-13(2)20(18(21)10-12)23-19(27)11-24(15(4)26)17-7-5-16(6-8-17)22-14(3)25/h5-10H,11H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyCWUXBWDRULMPQH-UHFFFAOYSA-N
XLogP3.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113175336
2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113167577
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113177050
2-(N,4-diacetylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113175646
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113171939
2-(4-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175959
2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113176021
2-(N-acetyl-3,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113168537
2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113171389
3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113129157
2-(N-acetyl-2-propan-2-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113169688
2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
CID 113168546

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide (CID 113175984) is 2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide is CC(=O)Nc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2Cl)C(C)=O)cc1.
What is the InChIKey of 2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is CWUXBWDRULMPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-12-9-13(2)20(18(21)10-12)23-19(27)11-24(15(4)26)17-7-5-16(6-8-17)22-14(3)25/h5-10H,11H2,1-4H3,(H,22,25)(H,23,27).
What are the key properties of 2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide has a molecular weight of 387.87 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 113175984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).