N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide

C14H11FN2O4 — CID 802614

IUPACN-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1
InChIInChI=1S/C14H11FN2O4/c15-10-2-1-3-11(8-10)16-14(18)9-21-13-6-4-12(5-7-13)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyIAAUEIINUBBPMI-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.75
Rot. Bonds5

About N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide

N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 802614) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID802614
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC NameN-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1
InChIInChI=1S/C14H11FN2O4/c15-10-2-1-3-11(8-10)16-14(18)9-21-13-6-4-12(5-7-13)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyIAAUEIINUBBPMI-UHFFFAOYSA-N
XLogP2.75
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.75
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-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086678
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55610642
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide (CID 802614) is N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is IAAUEIINUBBPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-10-2-1-3-11(8-10)16-14(18)9-21-13-6-4-12(5-7-13)17(19)20/h1-8H,9H2,(H,16,18).
What are the key properties of N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide?
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 290.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 802614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).