2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide

C19H21ClN2O2 — CID 113167577

IUPAC2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cc(C)cc1Cl)c1cccc(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-6-5-7-16(9-12)22(15(4)23)11-18(24)21-19-14(3)8-13(2)10-17(19)20/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyDHKIGIGGJITZRG-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.26
Rot. Bonds4

About 2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide

2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 113167577) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID113167577
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cc(C)cc1Cl)c1cccc(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-6-5-7-16(9-12)22(15(4)23)11-18(24)21-19-14(3)8-13(2)10-17(19)20/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyDHKIGIGGJITZRG-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-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113171389
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
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113175336
2-(N-acetyl-3,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113168537
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113177050
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532234
2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide
CID 113167570
2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113167564
2-(N-acetyl-3-methylanilino)-N-(2-methylphenyl)acetamide
CID 113167544
2-(N-acetyl-2-propan-2-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113169688
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
CID 113167580

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide (CID 113167577) is 2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1c(C)cc(C)cc1Cl)c1cccc(C)c1.
What is the InChIKey of 2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is DHKIGIGGJITZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-6-5-7-16(9-12)22(15(4)23)11-18(24)21-19-14(3)8-13(2)10-17(19)20/h5-10H,11H2,1-4H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)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-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 113167577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).