N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide

C12H14FN3O3 — CID 61366590

IUPACN-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H14FN3O3/c13-8-3-4-10(11(6-8)16(18)19)15-12(17)7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,17)
InChIKeyKBAJZPZKYFOCNF-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.81
Rot. Bonds4

About N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide

N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61366590) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide
PubChem CID61366590
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC NameN-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H14FN3O3/c13-8-3-4-10(11(6-8)16(18)19)15-12(17)7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,17)
InChIKeyKBAJZPZKYFOCNF-UHFFFAOYSA-N
XLogP1.81
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
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

N-(5-methyl-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 112557762
N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119873541
2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 64615986
4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79535891
N-(3-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 82864392
N-(4-bromo-3-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 79767852
N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
CID 114695569
2-[cycloheptyl(methyl)amino]-N-(4-fluoro-2-nitrophenyl)acetamide
CID 16961109
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 4239986
N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119756535
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119702559

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide (CID 61366590) is N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is KBAJZPZKYFOCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-8-3-4-10(11(6-8)16(18)19)15-12(17)7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,17).
What are the key properties of N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide?
N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 267.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61366590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).