N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline

C14H18F2N2O2 — CID 106012836

IUPACN-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline
SMILESO=[N+]([O-])c1c(F)cc(F)cc1NCCCC1CCCC1
InChIInChI=1S/C14H18F2N2O2/c15-11-8-12(16)14(18(19)20)13(9-11)17-7-3-6-10-4-1-2-5-10/h8-10,17H,1-7H2
InChIKeyFMPSLUMJXZXORX-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.26
Rot. Bonds6

About N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline

N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline (PubChem CID 106012836) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline
PubChem CID106012836
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline
SMILESO=[N+]([O-])c1c(F)cc(F)cc1NCCCC1CCCC1
InChIInChI=1S/C14H18F2N2O2/c15-11-8-12(16)14(18(19)20)13(9-11)17-7-3-6-10-4-1-2-5-10/h8-10,17H,1-7H2
InChIKeyFMPSLUMJXZXORX-UHFFFAOYSA-N
XLogP4.26
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3,5-difluoro-2-nitrophenyl)propane-1,3-diamine
CID 115507547
N'-(3,5-difluoro-2-nitrophenyl)butane-1,4-diamine
CID 113325462
3,5-difluoro-2-nitro-N-pentylaniline
CID 113325497
1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine
CID 114136547
6-(3,5-difluoro-2-nitroanilino)hexan-1-ol
CID 107848694
2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine
CID 115509806
5-(3,5-difluoro-2-nitroanilino)pentanamide
CID 106239018
N'-(3,5-difluoro-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 115509718
N-[(4-ethylcyclohexyl)methyl]-3,5-difluoro-2-nitroaniline
CID 115507763
5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline
CID 106012727
3,5-difluoro-N-(3-methylbutyl)-2-nitroaniline
CID 113325498
2-(3,5-difluoro-2-nitroanilino)ethanesulfonamide
CID 115507734

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline?
The IUPAC name of N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline (CID 106012836) is N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline.
What is the SMILES notation for N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline?
The canonical SMILES for N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline is O=[N+]([O-])c1c(F)cc(F)cc1NCCCC1CCCC1.
What is the InChIKey of N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline?
The InChIKey is FMPSLUMJXZXORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-11-8-12(16)14(18(19)20)13(9-11)17-7-3-6-10-4-1-2-5-10/h8-10,17H,1-7H2.
What are the key properties of N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline?
N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline has a molecular weight of 284.31 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline is sourced from PubChem (CID 106012836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).