2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline

C14H11ClF2N2O2 — CID 43718912

IUPAC2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline
SMILESCC(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C14H11ClF2N2O2/c1-8(11-6-9(16)2-5-13(11)17)18-14-7-10(19(20)21)3-4-12(14)15/h2-8,18H,1H3
InChIKeyRXNFNNHPBOZKKW-UHFFFAOYSA-N
MW312.70 g/mol
LogP4.70
Rot. Bonds4

About 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline

2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline (PubChem CID 43718912) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline
PubChem CID43718912
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline
SMILESCC(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C14H11ClF2N2O2/c1-8(11-6-9(16)2-5-13(11)17)18-14-7-10(19(20)21)3-4-12(14)15/h2-8,18H,1H3
InChIKeyRXNFNNHPBOZKKW-UHFFFAOYSA-N
XLogP4.70
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 54.70
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

N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 43718530
2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-nitroaniline
CID 43686191
5-fluoro-2-[1-(2-fluoro-5-nitroanilino)ethyl]phenol
CID 63066413
2-[1-(2-chloro-5-nitroanilino)ethyl]-5-methylphenol
CID 43718767
N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108513618
N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587
2-chloro-5-nitro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881749
5-chloro-2-fluoro-N-[1-(4-nitrophenyl)ethyl]aniline
CID 43438216
N-[1-(2-fluorophenyl)ethyl]-2-methoxy-5-nitroaniline
CID 43717791
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-5-nitrobenzonitrile
CID 9183904
2-chloro-5-nitro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 113486866
2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline
CID 43150386

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline?
The IUPAC name of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline (CID 43718912) is 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline.
What is the SMILES notation for 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline?
The canonical SMILES for 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline is CC(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(F)ccc1F.
What is the InChIKey of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline?
The InChIKey is RXNFNNHPBOZKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c1-8(11-6-9(16)2-5-13(11)17)18-14-7-10(19(20)21)3-4-12(14)15/h2-8,18H,1H3.
What are the key properties of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline?
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline has a molecular weight of 312.70 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5-nitroaniline is sourced from PubChem (CID 43718912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).