N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide

C14H16F2N2O3 — CID 107121802

IUPACN-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
SMILESCCN(C(=O)c1c(F)ccc([N+](=O)[O-])c1F)C1CCCC1
InChIInChI=1S/C14H16F2N2O3/c1-2-17(9-5-3-4-6-9)14(19)12-10(15)7-8-11(13(12)16)18(20)21/h7-9H,2-6H2,1H3
InChIKeyOOVTZRUOSUCALG-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.28
Rot. Bonds4

About N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide

N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide (PubChem CID 107121802) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
PubChem CID107121802
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC NameN-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
SMILESCCN(C(=O)c1c(F)ccc([N+](=O)[O-])c1F)C1CCCC1
InChIInChI=1S/C14H16F2N2O3/c1-2-17(9-5-3-4-6-9)14(19)12-10(15)7-8-11(13(12)16)18(20)21/h7-9H,2-6H2,1H3
InChIKeyOOVTZRUOSUCALG-UHFFFAOYSA-N
XLogP3.28
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
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-ethyl-2,6-difluoro-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 79759439
2-amino-N-cyclopropyl-N-ethyl-6-fluoro-3-nitrobenzamide
CID 107122923
N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide
CID 62680746
N-ethyl-2,6-difluoro-3-nitro-N-propylbenzamide
CID 113252601
N-butyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
CID 103740005
2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide
CID 113252560
N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide
CID 87024573
N-ethyl-2,6-difluoro-3-nitro-N-prop-2-enylbenzamide
CID 103740637
2,6-difluoro-N-methyl-3-nitro-N-(thiolan-3-yl)benzamide
CID 103852286
N-(1-chloropropan-2-yl)-2,6-difluoro-N-methyl-3-nitrobenzamide
CID 113426443
2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide
CID 107122880
2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide
CID 79773192

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide?
The IUPAC name of N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide (CID 107121802) is N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide is CCN(C(=O)c1c(F)ccc([N+](=O)[O-])c1F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide?
The InChIKey is OOVTZRUOSUCALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-2-17(9-5-3-4-6-9)14(19)12-10(15)7-8-11(13(12)16)18(20)21/h7-9H,2-6H2,1H3.
What are the key properties of N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide?
N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide has a molecular weight of 298.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide is sourced from PubChem (CID 107121802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).