N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide

C17H16ClFN2O3 — CID 38228993

IUPACN-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C17H16ClFN2O3/c1-10-15(20-11(2)22)4-3-5-16(10)21-17(23)9-24-12-6-7-14(19)13(18)8-12/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMUULDFGJALZGBU-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.76
Rot. Bonds5

About N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide

N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide (PubChem CID 38228993) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
PubChem CID38228993
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C17H16ClFN2O3/c1-10-15(20-11(2)22)4-3-5-16(10)21-17(23)9-24-12-6-7-14(19)13(18)8-12/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMUULDFGJALZGBU-UHFFFAOYSA-N
XLogP3.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 134019332
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid
CID 11438700
N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63880194
N-(3-acetamido-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 134019141
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 7751301
2-(3-acetamidophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 964555
2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 7432976
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 134019347

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide (CID 38228993) is N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide is CC(=O)Nc1cccc(NC(=O)COc2ccc(F)c(Cl)c2)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide?
The InChIKey is MUULDFGJALZGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-10-15(20-11(2)22)4-3-5-16(10)21-17(23)9-24-12-6-7-14(19)13(18)8-12/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide?
N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide has a molecular weight of 350.78 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide is sourced from PubChem (CID 38228993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).