2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide

C17H19ClN2O2 — CID 9101796

IUPAC2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-11-4-6-15(12(2)8-11)20-17(21)10-19-13-5-7-16(22-3)14(18)9-13/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyKAQBMEFBPHYTTF-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.02
Rot. Bonds5

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

2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 9101796) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
PubChem CID9101796
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-11-4-6-15(12(2)8-11)20-17(21)10-19-13-5-7-16(22-3)14(18)9-13/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyKAQBMEFBPHYTTF-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9101828
2-(3,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9098774
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 44999396
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)acetamide
CID 7636776
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009601
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide (CID 9101796) is 2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide is COc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is KAQBMEFBPHYTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-4-6-15(12(2)8-11)20-17(21)10-19-13-5-7-16(22-3)14(18)9-13/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide?
2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 318.80 g/mol, XLogP of 4.02, 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-dimethylphenyl)acetamide is sourced from PubChem (CID 9101796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).