3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline

C15H15FN2O3 — CID 102907327

IUPAC3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline
SMILESCOCCc1ccccc1Nc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-21-10-9-11-5-2-3-7-13(11)17-14-8-4-6-12(16)15(14)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyGBWQENDFERFISQ-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.67
Rot. Bonds6

About 3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline

3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline (PubChem CID 102907327) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline
PubChem CID102907327
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline
SMILESCOCCc1ccccc1Nc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-21-10-9-11-5-2-3-7-13(11)17-14-8-4-6-12(16)15(14)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyGBWQENDFERFISQ-UHFFFAOYSA-N
XLogP3.67
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.67
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

3-fluoro-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107645666
1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine
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N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
CID 53255561
N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80927963
N,3-difluoro-2-nitroaniline
CID 87619715
4-chloro-N-(3-fluoro-2-nitrophenyl)-2-methoxy-5-methylaniline
CID 63548373
2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid
CID 102907729
6-N-(2-ethylphenyl)-4-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23482652
4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide
CID 102846903
N'-(3-fluoro-2-nitrophenyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 60578967
3-chloro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 104835684

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline?
The IUPAC name of 3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline (CID 102907327) is 3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline.
What is the SMILES notation for 3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline?
The canonical SMILES for 3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline is COCCc1ccccc1Nc1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of 3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline?
The InChIKey is GBWQENDFERFISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-21-10-9-11-5-2-3-7-13(11)17-14-8-4-6-12(16)15(14)18(19)20/h2-8,17H,9-10H2,1H3.
What are the key properties of 3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline?
3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline has a molecular weight of 290.29 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline is sourced from PubChem (CID 102907327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).