N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide

C16H15FN2O5 — CID 167451266

IUPACN-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide
SMILESCOc1ccc(COc2cc(F)c([N+](=O)[O-])cc2NC(C)=O)cc1
InChIInChI=1S/C16H15FN2O5/c1-10(20)18-14-8-15(19(21)22)13(17)7-16(14)24-9-11-3-5-12(23-2)6-4-11/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyIPPJTIOPKOOVAH-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.28
Rot. Bonds6

About N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide

N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide (PubChem CID 167451266) has the molecular formula C16H15FN2O5 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide
PubChem CID167451266
Molecular FormulaC16H15FN2O5
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC NameN-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide
SMILESCOc1ccc(COc2cc(F)c([N+](=O)[O-])cc2NC(C)=O)cc1
InChIInChI=1S/C16H15FN2O5/c1-10(20)18-14-8-15(19(21)22)13(17)7-16(14)24-9-11-3-5-12(23-2)6-4-11/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyIPPJTIOPKOOVAH-UHFFFAOYSA-N
XLogP3.28
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide?
The IUPAC name of N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide (CID 167451266) is N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide?
The canonical SMILES for N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide is COc1ccc(COc2cc(F)c([N+](=O)[O-])cc2NC(C)=O)cc1.
What is the InChIKey of N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide?
The InChIKey is IPPJTIOPKOOVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5/c1-10(20)18-14-8-15(19(21)22)13(17)7-16(14)24-9-11-3-5-12(23-2)6-4-11/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide?
N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide has a molecular weight of 334.30 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide is sourced from PubChem (CID 167451266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).