N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide

C17H17FN2O5 — CID 60619500

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1OCC(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C17H17FN2O5/c1-11-3-4-12(7-14(11)18)9-19-17(21)10-25-15-6-5-13(20(22)23)8-16(15)24-2/h3-8H,9-10H2,1-2H3,(H,19,21)
InChIKeyOFRFQWAFLIJVQA-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.75
Rot. Bonds7

About N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide (PubChem CID 60619500) has the molecular formula C17H17FN2O5 and a molecular weight of 348.33 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide
PubChem CID60619500
Molecular FormulaC17H17FN2O5
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1OCC(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C17H17FN2O5/c1-11-3-4-12(7-14(11)18)9-19-17(21)10-25-15-6-5-13(20(22)23)8-16(15)24-2/h3-8H,9-10H2,1-2H3,(H,19,21)
InChIKeyOFRFQWAFLIJVQA-UHFFFAOYSA-N
XLogP2.75
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 41161682
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931667
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18129838
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-propoxyphenoxy)acetamide
CID 24553271
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 33304679
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544260
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
CID 8566633
2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
CID 7931749
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide (CID 60619500) is N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide is COc1cc([N+](=O)[O-])ccc1OCC(=O)NCc1ccc(C)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide?
The InChIKey is OFRFQWAFLIJVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5/c1-11-3-4-12(7-14(11)18)9-19-17(21)10-25-15-6-5-13(20(22)23)8-16(15)24-2/h3-8H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide has a molecular weight of 348.33 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide is sourced from PubChem (CID 60619500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).