N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide

C13H17FN2O — CID 55149318

IUPACN-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CCNC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-2-16(12-5-3-4-11(14)8-12)13(17)10-6-7-15-9-10/h3-5,8,10,15H,2,6-7,9H2,1H3
InChIKeyKXSVUWUWLIPHMZ-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.79
Rot. Bonds3

About N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide

N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide (PubChem CID 55149318) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
PubChem CID55149318
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CCNC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-2-16(12-5-3-4-11(14)8-12)13(17)10-6-7-15-9-10/h3-5,8,10,15H,2,6-7,9H2,1H3
InChIKeyKXSVUWUWLIPHMZ-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 81140928
N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119670332
N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706995
N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119679273
2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid
CID 63007265
4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide
CID 79207504
2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid
CID 62709879
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862
N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone
CID 104750265
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119821577

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide (CID 55149318) is N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide is CCN(C(=O)C1CCNC1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is KXSVUWUWLIPHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-16(12-5-3-4-11(14)8-12)13(17)10-6-7-15-9-10/h3-5,8,10,15H,2,6-7,9H2,1H3.
What are the key properties of N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide?
N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55149318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).