N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C15H21FN2O — CID 106979559

IUPACN-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCc2ccccc2F)CCNC1
InChIInChI=1S/C15H21FN2O/c1-11(2)15(7-8-17-10-15)14(19)18-9-12-5-3-4-6-13(12)16/h3-6,11,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyNJENWSMCZRQOTJ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.08
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979559) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979559
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCc2ccccc2F)CCNC1
InChIInChI=1S/C15H21FN2O/c1-11(2)15(7-8-17-10-15)14(19)18-9-12-5-3-4-6-13(12)16/h3-6,11,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyNJENWSMCZRQOTJ-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-nitrophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980545
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981418
N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981315
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 106979600
N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979455
2-(2,5-difluorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982096
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107863282
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119835459
N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979559) is N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)NCc2ccccc2F)CCNC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is NJENWSMCZRQOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(2)15(7-8-17-10-15)14(19)18-9-12-5-3-4-6-13(12)16/h3-6,11,17H,7-10H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).