N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide

C16H15FN2O5 — CID 7931667

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O5/c1-23-14-7-6-13(19(21)22)8-15(14)24-10-16(20)18-9-11-2-4-12(17)5-3-11/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyNNYIKTKXDOZCNJ-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.44
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide

N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide (PubChem CID 7931667) has the molecular formula C16H15FN2O5 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
PubChem CID7931667
Molecular FormulaC16H15FN2O5
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O5/c1-23-14-7-6-13(19(21)22)8-15(14)24-10-16(20)18-9-11-2-4-12(17)5-3-11/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyNNYIKTKXDOZCNJ-UHFFFAOYSA-N
XLogP2.44
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.44
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-(2-methoxy-4-nitrophenoxy)acetamide
CID 60619500
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide
CID 33173731
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
CID 7931749
2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
CID 8566633
3-(3,4-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]propanamide
CID 23087634
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 5038321
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 8566593
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
CID 7931792
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide (CID 7931667) is N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide is COc1ccc([N+](=O)[O-])cc1OCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide?
The InChIKey is NNYIKTKXDOZCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5/c1-23-14-7-6-13(19(21)22)8-15(14)24-10-16(20)18-9-11-2-4-12(17)5-3-11/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide?
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide has a molecular weight of 334.30 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide is sourced from PubChem (CID 7931667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).