N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide

C16H16ClFN2O2 — CID 47063903

IUPACN-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide
SMILESCOCc1ccccc1NCC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H16ClFN2O2/c1-22-10-11-4-2-3-5-14(11)19-9-16(21)20-15-8-12(17)6-7-13(15)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyQCRPYYWAXNHTAM-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.68
Rot. Bonds6

About N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide

N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide (PubChem CID 47063903) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide
PubChem CID47063903
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide
SMILESCOCc1ccccc1NCC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H16ClFN2O2/c1-22-10-11-4-2-3-5-14(11)19-9-16(21)20-15-8-12(17)6-7-13(15)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyQCRPYYWAXNHTAM-UHFFFAOYSA-N
XLogP3.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide (CID 47063903) is N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide is COCc1ccccc1NCC(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide?
The InChIKey is QCRPYYWAXNHTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-22-10-11-4-2-3-5-14(11)19-9-16(21)20-15-8-12(17)6-7-13(15)18/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide?
N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide has a molecular weight of 322.77 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide is sourced from PubChem (CID 47063903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).