2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide

C19H21ClN2O2 — CID 113171389

IUPAC2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-8-13(2)19(14(3)9-12)21-18(24)11-22(15(4)23)17-7-5-6-16(20)10-17/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyVZWOGBDIJALONJ-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.26
Rot. Bonds4

About 2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide

2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 113171389) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID113171389
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-8-13(2)19(14(3)9-12)21-18(24)11-22(15(4)23)17-7-5-6-16(20)10-17/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyVZWOGBDIJALONJ-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113167577
2-(N-acetyl-3-chloroanilino)-N-(3-methylphenyl)acetamide
CID 113171372
2-(N-acetyl-3,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113168537
2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide
CID 113167570
2-(N,4-diacetylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113175646
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113174903
2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113175984
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113171939
methyl 4-[[2-(N-acetyl-3-chloroanilino)acetyl]amino]benzoate
CID 113171429
2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide
CID 113171290
2-(N-acetyl-3-bromoanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113177955
2-(N-acetyl-3-chloroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113171420

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide (CID 113171389) is 2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)c1cccc(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is VZWOGBDIJALONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-8-13(2)19(14(3)9-12)21-18(24)11-22(15(4)23)17-7-5-6-16(20)10-17/h5-10H,11H2,1-4H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide?
2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 113171389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).