5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline

C14H12ClFN2O2 — CID 115469570

IUPAC5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(Cl)cc1NCCc1ccccc1F
InChIInChI=1S/C14H12ClFN2O2/c15-11-5-6-14(18(19)20)13(9-11)17-8-7-10-3-1-2-4-12(10)16/h1-6,9,17H,7-8H2
InChIKeyLGRYBOXODUWKNH-UHFFFAOYSA-N
MW294.71 g/mol
LogP4.04
Rot. Bonds5

About 5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline

5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline (PubChem CID 115469570) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline.

Molecular Properties

Compound Name5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline
PubChem CID115469570
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(Cl)cc1NCCc1ccccc1F
InChIInChI=1S/C14H12ClFN2O2/c15-11-5-6-14(18(19)20)13(9-11)17-8-7-10-3-1-2-4-12(10)16/h1-6,9,17H,7-8H2
InChIKeyLGRYBOXODUWKNH-UHFFFAOYSA-N
XLogP4.04
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 54.04
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'}

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Related Compounds

5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-nitroaniline
CID 115555653
4-chloro-2-iodo-N-[2-(2-nitrophenyl)ethyl]aniline
CID 107635333
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline
CID 29053854
5-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-2-nitroaniline
CID 114841688
N-[(2-aminophenyl)methyl]-5-chloro-2-nitroaniline
CID 66386269
5-chloro-2-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 115469594
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-nitroaniline
CID 2855013
5-chloro-N-[2-(4-methoxyphenyl)ethyl]-2-nitroaniline
CID 115469569
5-bromo-2-fluoro-N-[2-(2-nitrophenyl)ethyl]aniline
CID 63062280
N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 62589948
1-[4-[2-(2-fluorophenyl)ethylamino]-3-nitrophenyl]pyrrolidine-2,5-dione
CID 15994505
5-chloro-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 113315986

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline?
The IUPAC name of 5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline (CID 115469570) is 5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline.
What is the SMILES notation for 5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline?
The canonical SMILES for 5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline is O=[N+]([O-])c1ccc(Cl)cc1NCCc1ccccc1F.
What is the InChIKey of 5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline?
The InChIKey is LGRYBOXODUWKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-11-5-6-14(18(19)20)13(9-11)17-8-7-10-3-1-2-4-12(10)16/h1-6,9,17H,7-8H2.
What are the key properties of 5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline?
5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline has a molecular weight of 294.71 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline is sourced from PubChem (CID 115469570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).