4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

C14H18FN3O3 — CID 61217350

IUPAC4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(CN1CCCC1)NC(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H18FN3O3/c1-10(9-17-6-2-3-7-17)16-14(19)11-4-5-12(15)13(8-11)18(20)21/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,19)
InChIKeyGPQFSQQBONCKFS-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.95
Rot. Bonds5

About 4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 61217350) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID61217350
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(CN1CCCC1)NC(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H18FN3O3/c1-10(9-17-6-2-3-7-17)16-14(19)11-4-5-12(15)13(8-11)18(20)21/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,19)
InChIKeyGPQFSQQBONCKFS-UHFFFAOYSA-N
XLogP1.95
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
4-fluoro-N-(5-methylhexan-2-yl)-3-nitrobenzamide
CID 60659842
4-fluoro-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 113238450
4-fluoro-N-hexan-2-yl-3-nitrobenzamide
CID 62198938
5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 102741535
N-(3-ethylpentan-2-yl)-4-fluoro-3-nitrobenzamide
CID 63836885
4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 9144857
4-fluoro-N-(1-hydroxypentan-3-yl)-3-nitrobenzamide
CID 113495684
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzamide
CID 65031376
4-fluoro-N-hexan-3-yl-3-nitrobenzamide
CID 55031524
N-butan-2-yl-4-methylsulfanyl-3-nitrobenzamide
CID 4807871
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 61217350) is 4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is CC(CN1CCCC1)NC(=O)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is GPQFSQQBONCKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-10(9-17-6-2-3-7-17)16-14(19)11-4-5-12(15)13(8-11)18(20)21/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,19).
What are the key properties of 4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 295.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 61217350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).