N-(4-fluorophenyl)-3-methoxy-4-nitroaniline

C13H11FN2O3 — CID 165348720

IUPACN-(4-fluorophenyl)-3-methoxy-4-nitroaniline
SMILESCOc1cc(Nc2ccc(F)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11FN2O3/c1-19-13-8-11(6-7-12(13)16(17)18)15-10-4-2-9(14)3-5-10/h2-8,15H,1H3
InChIKeyBMDLQTHYPMTDNL-UHFFFAOYSA-N
MW262.24 g/mol
LogP3.49
Rot. Bonds4

About N-(4-fluorophenyl)-3-methoxy-4-nitroaniline

N-(4-fluorophenyl)-3-methoxy-4-nitroaniline (PubChem CID 165348720) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methoxy-4-nitroaniline.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methoxy-4-nitroaniline
PubChem CID165348720
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC NameN-(4-fluorophenyl)-3-methoxy-4-nitroaniline
SMILESCOc1cc(Nc2ccc(F)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11FN2O3/c1-19-13-8-11(6-7-12(13)16(17)18)15-10-4-2-9(14)3-5-10/h2-8,15H,1H3
InChIKeyBMDLQTHYPMTDNL-UHFFFAOYSA-N
XLogP3.49
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 53.49
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

1-N-(3-fluoro-4-methoxyphenyl)-4-nitrobenzene-1,3-diamine
CID 106751443
5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline
CID 18994149
1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
CID 63671776
3-(3-methoxy-4-nitroanilino)propan-1-ol
CID 63670416
N-(3-methoxy-4-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 63669987
N-(3-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-1-amine
CID 79106267
N-(3-methoxy-4-nitrophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 63671596
N-(4-bromo-3-methoxyphenyl)-3-iodo-4-nitroaniline
CID 106494681
6-chloro-N-(3-methoxy-4-nitrophenyl)pyrimidin-4-amine
CID 169224624
5-(4-methoxy-3-methylanilino)-2-nitrobenzonitrile
CID 115501037
3-methoxy-4-nitro-N-pent-4-ynylaniline
CID 103704458
N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine
CID 83030913

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methoxy-4-nitroaniline?
The IUPAC name of N-(4-fluorophenyl)-3-methoxy-4-nitroaniline (CID 165348720) is N-(4-fluorophenyl)-3-methoxy-4-nitroaniline.
What is the SMILES notation for N-(4-fluorophenyl)-3-methoxy-4-nitroaniline?
The canonical SMILES for N-(4-fluorophenyl)-3-methoxy-4-nitroaniline is COc1cc(Nc2ccc(F)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(4-fluorophenyl)-3-methoxy-4-nitroaniline?
The InChIKey is BMDLQTHYPMTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-19-13-8-11(6-7-12(13)16(17)18)15-10-4-2-9(14)3-5-10/h2-8,15H,1H3.
What are the key properties of N-(4-fluorophenyl)-3-methoxy-4-nitroaniline?
N-(4-fluorophenyl)-3-methoxy-4-nitroaniline has a molecular weight of 262.24 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methoxy-4-nitroaniline is sourced from PubChem (CID 165348720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).