3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline

C12H7ClF2N2O2 — CID 104838755

IUPAC3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline
SMILESO=[N+]([O-])c1c(Cl)cccc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H7ClF2N2O2/c13-10-2-1-3-11(12(10)17(18)19)16-9-5-7(14)4-8(15)6-9/h1-6,16H
InChIKeyRCIDONYRLSQJDX-UHFFFAOYSA-N
MW284.65 g/mol
LogP4.27
Rot. Bonds3

About 3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline

3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline (PubChem CID 104838755) has the molecular formula C12H7ClF2N2O2 and a molecular weight of 284.65 g/mol. Its IUPAC name is 3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline.

Molecular Properties

Compound Name3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline
PubChem CID104838755
Molecular FormulaC12H7ClF2N2O2
Molecular Weight284.65 g/mol
Exact Mass284.02
IUPAC Name3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline
SMILESO=[N+]([O-])c1c(Cl)cccc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H7ClF2N2O2/c13-10-2-1-3-11(12(10)17(18)19)16-9-5-7(14)4-8(15)6-9/h1-6,16H
InChIKeyRCIDONYRLSQJDX-UHFFFAOYSA-N
XLogP4.27
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.65
LogP ≤ 54.27
H-Bond Donors ≤ 51
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-(3,5-difluorophenyl)-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

3-chloro-N-(3-chlorophenyl)-2-nitroaniline
CID 113459239
3-chloro-N-(4-chlorophenyl)-2-nitroaniline
CID 104838744
3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 80752174
N-(2-chlorophenyl)-3,5-difluoroaniline
CID 82536990
3-(3-chloro-2-nitroanilino)benzonitrile
CID 104838745
3-N-(3-fluoro-5-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 80850965
3-chloro-N-(4-methoxyphenyl)-2-nitroaniline
CID 71609935
3-chloro-N-(4-ethylphenyl)-2-nitroaniline
CID 113459244
N-(3-bromo-4-iodophenyl)-3-chloro-2-nitroaniline
CID 114262297
3-chloro-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107645657
N-(2-bromophenyl)-3-chloro-2-nitroaniline
CID 104838746
N-(3-chloro-4-methylphenyl)-3-fluoro-2-nitroaniline
CID 63549745

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline?
The IUPAC name of 3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline (CID 104838755) is 3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline.
What is the SMILES notation for 3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline?
The canonical SMILES for 3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline is O=[N+]([O-])c1c(Cl)cccc1Nc1cc(F)cc(F)c1.
What is the InChIKey of 3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline?
The InChIKey is RCIDONYRLSQJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O2/c13-10-2-1-3-11(12(10)17(18)19)16-9-5-7(14)4-8(15)6-9/h1-6,16H.
What are the key properties of 3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline?
3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline has a molecular weight of 284.65 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline is sourced from PubChem (CID 104838755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).