N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide

C16H15ClFNO2 — CID 2554397

IUPACN-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(Cl)ccc2F)cc1C
InChIInChI=1S/C16H15ClFNO2/c1-10-3-5-13(7-11(10)2)21-9-16(20)19-15-8-12(17)4-6-14(15)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyRIQVUFUMOARPQV-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.11
Rot. Bonds4

About N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide

N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 2554397) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
PubChem CID2554397
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(Cl)ccc2F)cc1C
InChIInChI=1S/C16H15ClFNO2/c1-10-3-5-13(7-11(10)2)21-9-16(20)19-15-8-12(17)4-6-14(15)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyRIQVUFUMOARPQV-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
CID 7372746
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1321750
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
2-(4-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964612
N-(5-chloro-2-fluorophenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 8759085
N-(2,5-dichlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7899903
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984
methyl 4-chloro-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
CID 8910012

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide (CID 2554397) is N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2F)cc1C.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is RIQVUFUMOARPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10-3-5-13(7-11(10)2)21-9-16(20)19-15-8-12(17)4-6-14(15)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide?
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 307.75 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 2554397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).