2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide

C18H21ClN2O2 — CID 9101828

IUPAC2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2c(C)cc(C)cc2C)cc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-11-7-12(2)18(13(3)8-11)21-17(22)10-20-14-5-6-16(23-4)15(19)9-14/h5-9,20H,10H2,1-4H3,(H,21,22)
InChIKeyBQCHQDBRMOZFCW-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.32
Rot. Bonds5

About 2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide

2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 9101828) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID9101828
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2c(C)cc(C)cc2C)cc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-11-7-12(2)18(13(3)8-11)21-17(22)10-20-14-5-6-16(23-4)15(19)9-14/h5-9,20H,10H2,1-4H3,(H,21,22)
InChIKeyBQCHQDBRMOZFCW-UHFFFAOYSA-N
XLogP4.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 9101796
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109008811
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N'-(2-chloro-4,6-dimethylphenyl)-N-(3-chloro-4-methoxyphenyl)oxamide
CID 108501287
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
2-(3,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9098774
4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846121
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853
N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1314189

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide (CID 9101828) is 2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide is COc1ccc(NCC(=O)Nc2c(C)cc(C)cc2C)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BQCHQDBRMOZFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-11-7-12(2)18(13(3)8-11)21-17(22)10-20-14-5-6-16(23-4)15(19)9-14/h5-9,20H,10H2,1-4H3,(H,21,22).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide?
2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 332.83 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 9101828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).