5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide

C14H17FN2O3 — CID 103742455

IUPAC5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
SMILESCC(C)C1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H17FN2O3/c1-9(2)14(5-6-14)8-16-13(18)11-7-10(15)3-4-12(11)17(19)20/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyPGOCLGZIHIBPJB-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.90
Rot. Bonds5

About 5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide

5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide (PubChem CID 103742455) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
PubChem CID103742455
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
SMILESCC(C)C1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H17FN2O3/c1-9(2)14(5-6-14)8-16-13(18)11-7-10(15)3-4-12(11)17(19)20/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyPGOCLGZIHIBPJB-UHFFFAOYSA-N
XLogP2.90
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.90
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-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742620
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-nitrobenzamide
CID 115364005
2-bromo-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 106547537
2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 102977042
4-bromo-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742462
5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61041542
5-fluoro-N-[2-(methylamino)ethyl]-2-nitrobenzamide;hydrochloride
CID 119502800
N-(2-aminobutyl)-5-fluoro-2-nitrobenzamide
CID 63733638
N-[(2S)-1-aminopropan-2-yl]-5-fluoro-2-nitrobenzamide
CID 120505682
N-(1-chloropropan-2-yl)-5-fluoro-2-nitrobenzamide
CID 114299406
N-(3-chloro-2,2-dimethylpropyl)-5-fluoro-2-nitrobenzamide
CID 113294942
5-fluoro-N-hexyl-2-nitrobenzamide
CID 61041520

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The IUPAC name of 5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide (CID 103742455) is 5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The canonical SMILES for 5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide is CC(C)C1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The InChIKey is PGOCLGZIHIBPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9(2)14(5-6-14)8-16-13(18)11-7-10(15)3-4-12(11)17(19)20/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of 5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide has a molecular weight of 280.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 103742455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).