N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide

C16H15Cl3N2O2 — CID 109011166

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl3N2O2/c1-9-5-14(15(23-2)7-11(9)18)21-16(22)8-20-13-4-3-10(17)6-12(13)19/h3-7,20H,8H2,1-2H3,(H,21,22)
InChIKeyQSNVPFNURMNQCP-UHFFFAOYSA-N
MW373.67 g/mol
LogP5.01
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide (PubChem CID 109011166) has the molecular formula C16H15Cl3N2O2 and a molecular weight of 373.67 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide
PubChem CID109011166
Molecular FormulaC16H15Cl3N2O2
Molecular Weight373.67 g/mol
Exact Mass372.02
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl3N2O2/c1-9-5-14(15(23-2)7-11(9)18)21-16(22)8-20-13-4-3-10(17)6-12(13)19/h3-7,20H,8H2,1-2H3,(H,21,22)
InChIKeyQSNVPFNURMNQCP-UHFFFAOYSA-N
XLogP5.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide (CID 109011166) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide?
The InChIKey is QSNVPFNURMNQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O2/c1-9-5-14(15(23-2)7-11(9)18)21-16(22)8-20-13-4-3-10(17)6-12(13)19/h3-7,20H,8H2,1-2H3,(H,21,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide has a molecular weight of 373.67 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide is sourced from PubChem (CID 109011166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).