N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

C16H15FN2O4 — CID 2690891

IUPACN-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCc1cccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c1C
InChIInChI=1S/C16H15FN2O4/c1-10-4-3-5-13(11(10)2)18-16(20)9-23-15-8-12(17)6-7-14(15)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyMRSYJWFFOYABSF-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.37
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 2690891) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID2690891
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC NameN-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCc1cccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c1C
InChIInChI=1S/C16H15FN2O4/c1-10-4-3-5-13(11(10)2)18-16(20)9-23-15-8-12(17)6-7-14(15)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyMRSYJWFFOYABSF-UHFFFAOYSA-N
XLogP3.37
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156711
2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide
CID 43039311
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
2-(5-fluoro-2-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 2690910
2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7846247
2-(4-chloro-2-nitrophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 26216842
N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690932
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509
dimethyl 2-[[2-(5-fluoro-2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 2690933

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 2690891) is N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is Cc1cccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is MRSYJWFFOYABSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-10-4-3-5-13(11(10)2)18-16(20)9-23-15-8-12(17)6-7-14(15)19(21)22/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 318.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 2690891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).