2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline

C14H12ClFN2O2 — CID 43150386

IUPAC2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClFN2O2/c1-9(11-4-2-3-5-14(11)18(19)20)17-13-7-6-10(16)8-12(13)15/h2-9,17H,1H3
InChIKeyYXXAGBWQGBBVRA-UHFFFAOYSA-N
MW294.71 g/mol
LogP4.56
Rot. Bonds4

About 2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline

2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline (PubChem CID 43150386) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline
PubChem CID43150386
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClFN2O2/c1-9(11-4-2-3-5-14(11)18(19)20)17-13-7-6-10(16)8-12(13)15/h2-9,17H,1H3
InChIKeyYXXAGBWQGBBVRA-UHFFFAOYSA-N
XLogP4.56
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 54.56
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-fluoro-N-[1-(2-methylphenyl)ethyl]-2-nitroaniline
CID 62377990
2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline
CID 43147672
4-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluoro-2-nitroaniline
CID 66110274
2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline
CID 43150484
4-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-nitroaniline
CID 43785747
N-[1-(4-bromo-2-chlorophenyl)ethyl]-5-fluoro-2-nitroaniline
CID 82775391
(1S)-1-(4-fluorophenyl)-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81348173
4-methoxy-2-methyl-N-[1-(2-nitrophenyl)ethyl]aniline
CID 62867174
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 43785537
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
2-[1-(2-nitrophenyl)ethylamino]benzoic acid
CID 43139514

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline?
The IUPAC name of 2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline (CID 43150386) is 2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline is CC(Nc1ccc(F)cc1Cl)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline?
The InChIKey is YXXAGBWQGBBVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-9(11-4-2-3-5-14(11)18(19)20)17-13-7-6-10(16)8-12(13)15/h2-9,17H,1H3.
What are the key properties of 2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline?
2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline has a molecular weight of 294.71 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline is sourced from PubChem (CID 43150386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).