3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline

C13H10ClFN2O2 — CID 104838971

IUPAC3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline
SMILESCN(c1cccc(F)c1)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H10ClFN2O2/c1-16(10-5-2-4-9(15)8-10)12-7-3-6-11(14)13(12)17(18)19/h2-8H,1H3
InChIKeyMAEZFOFHADISEO-UHFFFAOYSA-N
MW280.69 g/mol
LogP4.16
Rot. Bonds3

About 3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline

3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline (PubChem CID 104838971) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline.

Molecular Properties

Compound Name3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline
PubChem CID104838971
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline
SMILESCN(c1cccc(F)c1)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H10ClFN2O2/c1-16(10-5-2-4-9(15)8-10)12-7-3-6-11(14)13(12)17(18)19/h2-8H,1H3
InChIKeyMAEZFOFHADISEO-UHFFFAOYSA-N
XLogP4.16
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid
CID 55091087
3-fluoro-N-methyl-2-nitro-N-phenylaniline
CID 62663622
3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline
CID 104838791
4-N-(3-fluorophenyl)-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 80817532
N-(3-fluorophenyl)-N-methylnitramide
CID 11062819
N-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine
CID 104839405
(1S)-1-[4-(3-fluoro-N-methylanilino)-3-nitrophenyl]ethanol
CID 78938454
(1R)-1-[4-(3-fluoro-N-methylanilino)-3-nitrophenyl]ethanol
CID 63371812
3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one
CID 79343637
3-N-(3-fluorophenyl)-3-N-methyl-5-nitrobenzene-1,3-diamine
CID 80817376
N'-(3-chloro-2-nitrophenyl)-N'-methylpropane-1,3-diamine
CID 104839457
3-chloro-N-(2-methoxyethyl)-2-nitro-N-propan-2-ylaniline
CID 113459326

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline?
The IUPAC name of 3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline (CID 104838971) is 3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline.
What is the SMILES notation for 3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline?
The canonical SMILES for 3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline is CN(c1cccc(F)c1)c1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline?
The InChIKey is MAEZFOFHADISEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-16(10-5-2-4-9(15)8-10)12-7-3-6-11(14)13(12)17(18)19/h2-8H,1H3.
What are the key properties of 3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline?
3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline has a molecular weight of 280.69 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline is sourced from PubChem (CID 104838971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).