N-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

C16H21FN2O — CID 47322283

IUPACN-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C16H21FN2O/c17-13-6-3-5-12(11-13)15-9-4-10-19(15)16(20)18-14-7-1-2-8-14/h3,5-6,11,14-15H,1-2,4,7-10H2,(H,18,20)
InChIKeyHWNRUMGODXXEFB-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.61
Rot. Bonds2

About N-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

N-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 47322283) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID47322283
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC NameN-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C16H21FN2O/c17-13-6-3-5-12(11-13)15-9-4-10-19(15)16(20)18-14-7-1-2-8-14/h3,5-6,11,14-15H,1-2,4,7-10H2,(H,18,20)
InChIKeyHWNRUMGODXXEFB-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11840968
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CID 24901492
1-Benzyl-3-(2-phenylethyl)urea
CID 3745478
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
N-benzylpyrrolidine-1-carboxamide
CID 6459037
1-Tert-butyl-3-(alpha-methylbenzyl)urea
CID 306576
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CID 322644
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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (CID 47322283) is N-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is O=C(NC1CCCC1)N1CCCC1c1cccc(F)c1.
What is the InChIKey of N-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is HWNRUMGODXXEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-13-6-3-5-12(11-13)15-9-4-10-19(15)16(20)18-14-7-1-2-8-14/h3,5-6,11,14-15H,1-2,4,7-10H2,(H,18,20).
What are the key properties of N-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
N-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 276.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47322283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).