2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide

C16H16FN3O4 — CID 40717592

IUPAC2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide
SMILESO=C(COc1ccccc1F)NCCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16FN3O4/c17-12-5-1-4-8-15(12)24-11-16(21)19-10-9-18-13-6-2-3-7-14(13)20(22)23/h1-8,18H,9-11H2,(H,19,21)
InChIKeyBRFUUGQEPZLKBO-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.34
Rot. Bonds8

About 2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide

2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide (PubChem CID 40717592) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide
PubChem CID40717592
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide
SMILESO=C(COc1ccccc1F)NCCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16FN3O4/c17-12-5-1-4-8-15(12)24-11-16(21)19-10-9-18-13-6-2-3-7-14(13)20(22)23/h1-8,18H,9-11H2,(H,19,21)
InChIKeyBRFUUGQEPZLKBO-UHFFFAOYSA-N
XLogP2.34
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-nitroanilino)ethyl]benzamide
CID 26420522
2-(4-bromophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278380
3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
CID 119272735
2,4-difluoro-N-[2-(2-nitroanilino)ethyl]benzamide
CID 46655559
N-[2-(2-nitroanilino)ethyl]-3-phenylpropanamide
CID 9278055
2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278743
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047
5-fluoro-2-methyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 36937734
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-(4-fluoro-3-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7478517
3,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278136

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide (CID 40717592) is 2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide is O=C(COc1ccccc1F)NCCNc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide?
The InChIKey is BRFUUGQEPZLKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c17-12-5-1-4-8-15(12)24-11-16(21)19-10-9-18-13-6-2-3-7-14(13)20(22)23/h1-8,18H,9-11H2,(H,19,21).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide?
2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide has a molecular weight of 333.32 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide is sourced from PubChem (CID 40717592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).