2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline

C15H14F2N2O2 — CID 43725067

IUPAC2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline
SMILESCC(CNc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1
InChIInChI=1S/C15H14F2N2O2/c1-10(11-5-3-2-4-6-11)9-18-14-8-15(19(20)21)13(17)7-12(14)16/h2-8,10,18H,9H2,1H3
InChIKeyHQBHPODSVKACGQ-UHFFFAOYSA-N
MW292.29 g/mol
LogP4.09
Rot. Bonds5

About 2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline

2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline (PubChem CID 43725067) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline.

Molecular Properties

Compound Name2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline
PubChem CID43725067
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline
SMILESCC(CNc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1
InChIInChI=1S/C15H14F2N2O2/c1-10(11-5-3-2-4-6-11)9-18-14-8-15(19(20)21)13(17)7-12(14)16/h2-8,10,18H,9H2,1H3
InChIKeyHQBHPODSVKACGQ-UHFFFAOYSA-N
XLogP4.09
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.09
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-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline
CID 102853196
N-benzyl-2,4-difluoro-5-nitroaniline
CID 43725145
4-nitro-3-(2-phenylpropylamino)benzonitrile
CID 104713844
N-methyl-3-nitro-4-[[(2S)-2-phenylpropyl]amino]benzenesulfonamide
CID 9110074
3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide
CID 115576985
2-chloro-5-nitro-N-(2-phenylpropyl)aniline
CID 43718780
4-fluoro-3-(2-phenylpropylamino)benzoic acid
CID 43728030
N-[1-(3-bromophenyl)ethyl]-2,4-difluoro-5-nitroaniline
CID 43725182
2-nitro-5-(2-phenylpropylamino)benzonitrile
CID 104591522
2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline
CID 43725174
N'-(4-fluoro-5-methyl-2-nitrophenyl)-1-phenylethane-1,2-diamine
CID 103594153
N'-tert-butyl-N-(2,4-difluoro-5-nitrophenyl)ethane-1,2-diamine
CID 107445129

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline?
The IUPAC name of 2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline (CID 43725067) is 2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline.
What is the SMILES notation for 2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline?
The canonical SMILES for 2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline is CC(CNc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1.
What is the InChIKey of 2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline?
The InChIKey is HQBHPODSVKACGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-10(11-5-3-2-4-6-11)9-18-14-8-15(19(20)21)13(17)7-12(14)16/h2-8,10,18H,9H2,1H3.
What are the key properties of 2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline?
2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline has a molecular weight of 292.29 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline is sourced from PubChem (CID 43725067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).