N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide

C14H16F2N2O3 — CID 103741643

IUPACN-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide
SMILESCCC1(CNC(=O)c2c(F)ccc([N+](=O)[O-])c2F)CCC1
InChIInChI=1S/C14H16F2N2O3/c1-2-14(6-3-7-14)8-17-13(19)11-9(15)4-5-10(12(11)16)18(20)21/h4-5H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyFMVUXMALIBVBKZ-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.18
Rot. Bonds5

About N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide

N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide (PubChem CID 103741643) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide
PubChem CID103741643
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide
SMILESCCC1(CNC(=O)c2c(F)ccc([N+](=O)[O-])c2F)CCC1
InChIInChI=1S/C14H16F2N2O3/c1-2-14(6-3-7-14)8-17-13(19)11-9(15)4-5-10(12(11)16)18(20)21/h4-5H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyFMVUXMALIBVBKZ-UHFFFAOYSA-N
XLogP3.18
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.18
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

2,6-difluoro-3-nitro-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762271
2,6-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-nitrobenzamide
CID 114751387
2,6-difluoro-N-[(1-methylsulfanylcyclobutyl)methyl]-3-nitrobenzamide
CID 107299298
N-(1-ethylcyclobutyl)-2,6-difluoro-3-nitrobenzamide
CID 107122310
N-[(1-ethylcyclobutyl)methyl]-2,5-difluoro-4-nitrobenzamide
CID 104705327
2,6-difluoro-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742620
N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 103839394
2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide
CID 86816385
2,6-difluoro-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 103740568
2,6-difluoro-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 103740035
2,6-difluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
CID 113252599
2,6-difluoro-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103740573

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide (CID 103741643) is N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide is CCC1(CNC(=O)c2c(F)ccc([N+](=O)[O-])c2F)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide?
The InChIKey is FMVUXMALIBVBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-2-14(6-3-7-14)8-17-13(19)11-9(15)4-5-10(12(11)16)18(20)21/h4-5H,2-3,6-8H2,1H3,(H,17,19).
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide?
N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide has a molecular weight of 298.29 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide is sourced from PubChem (CID 103741643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).