N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

C13H16FN3O2 — CID 119308747

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)C1CCCN1)Nc1cccc(F)c1
InChIInChI=1S/C13H16FN3O2/c14-9-3-1-4-10(7-9)17-12(18)8-16-13(19)11-5-2-6-15-11/h1,3-4,7,11,15H,2,5-6,8H2,(H,16,19)(H,17,18)
InChIKeyCFZNGDAVFSZUKA-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.63
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 119308747) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID119308747
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)C1CCCN1)Nc1cccc(F)c1
InChIInChI=1S/C13H16FN3O2/c14-9-3-1-4-10(7-9)17-12(18)8-16-13(19)11-5-2-6-15-11/h1,3-4,7,11,15H,2,5-6,8H2,(H,16,19)(H,17,18)
InChIKeyCFZNGDAVFSZUKA-UHFFFAOYSA-N
XLogP0.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119308754
N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119312039
(2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120627706
N-[2-(3-fluoroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119308736
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119312487
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024
N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119302426
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 119308747) is N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is O=C(CNC(=O)C1CCCN1)Nc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is CFZNGDAVFSZUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-9-3-1-4-10(7-9)17-12(18)8-16-13(19)11-5-2-6-15-11/h1,3-4,7,11,15H,2,5-6,8H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119308747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).