5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline

C13H11FN2O3 — CID 18994149

IUPAC5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline
SMILESCOc1ccc(Nc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11FN2O3/c1-19-11-5-3-10(4-6-11)15-12-8-9(14)2-7-13(12)16(17)18/h2-8,15H,1H3
InChIKeyMKLPZSNVTVVMLS-UHFFFAOYSA-N
MW262.24 g/mol
LogP3.49
Rot. Bonds4

About 5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline

5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline (PubChem CID 18994149) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline.

Molecular Properties

Compound Name5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline
PubChem CID18994149
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline
SMILESCOc1ccc(Nc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11FN2O3/c1-19-11-5-3-10(4-6-11)15-12-8-9(14)2-7-13(12)16(17)18/h2-8,15H,1H3
InChIKeyMKLPZSNVTVVMLS-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

5-methoxy-N-(4-methylphenyl)-2-nitroaniline
CID 67365056
5-fluoro-N-(3-fluorophenyl)-2-nitroaniline
CID 58459318
4-(4-methoxyanilino)-3-nitrobenzonitrile
CID 2988965
5-fluoro-N-[(3-methoxyphenyl)methyl]-2-nitroaniline
CID 62377280
1-(4-fluoro-2-nitrophenyl)-3-(4-methoxyphenyl)thiourea
CID 19687360
N-(4-fluorophenyl)-3-methoxy-4-nitroaniline
CID 165348720
6-chloro-N-(5-fluoro-2-nitrophenyl)pyridin-3-amine
CID 86680902
5-fluoro-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 58459238
4-methoxy-2-nitro-N-(4-nitrophenyl)aniline
CID 86676152
3-(4-fluoroanilino)-4-nitrobenzonitrile
CID 118938253
2-N-(5-methoxy-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
CID 118101516
N-(5-fluoro-2-nitrophenyl)pyridin-3-amine
CID 58459332

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline?
The IUPAC name of 5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline (CID 18994149) is 5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline.
What is the SMILES notation for 5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline?
The canonical SMILES for 5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline is COc1ccc(Nc2cc(F)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline?
The InChIKey is MKLPZSNVTVVMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-19-11-5-3-10(4-6-11)15-12-8-9(14)2-7-13(12)16(17)18/h2-8,15H,1H3.
What are the key properties of 5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline?
5-fluoro-N-(4-methoxyphenyl)-2-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 5-fluoro-N-(4-methoxyphenyl)-2-nitroaniline is sourced from PubChem (CID 18994149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).