N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide

C16H16ClFN2O2 — CID 2530903

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1ccc(F)cc1C
InChIInChI=1S/C16H16ClFN2O2/c1-10-7-12(18)4-5-13(10)19-9-16(21)20-14-8-11(17)3-6-15(14)22-2/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyHPVZYRQVCFSVQG-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.85
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide (PubChem CID 2530903) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide
PubChem CID2530903
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1ccc(F)cc1C
InChIInChI=1S/C16H16ClFN2O2/c1-10-7-12(18)4-5-13(10)19-9-16(21)20-14-8-11(17)3-6-15(14)22-2/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyHPVZYRQVCFSVQG-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide (CID 2530903) is N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide is COc1ccc(Cl)cc1NC(=O)CNc1ccc(F)cc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide?
The InChIKey is HPVZYRQVCFSVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-10-7-12(18)4-5-13(10)19-9-16(21)20-14-8-11(17)3-6-15(14)22-2/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide has a molecular weight of 322.77 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide is sourced from PubChem (CID 2530903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).