N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide

C14H19FN2O — CID 54869659

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C1CCCN1
InChIInChI=1S/C14H19FN2O/c1-10(11-5-7-12(15)8-6-11)17(2)14(18)13-4-3-9-16-13/h5-8,10,13,16H,3-4,9H2,1-2H3
InChIKeyQEFCYEPECVGDAH-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.10
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide

N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 54869659) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID54869659
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C1CCCN1
InChIInChI=1S/C14H19FN2O/c1-10(11-5-7-12(15)8-6-11)17(2)14(18)13-4-3-9-16-13/h5-8,10,13,16H,3-4,9H2,1-2H3
InChIKeyQEFCYEPECVGDAH-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-N-methylazepane-2-carboxamide
CID 64562272
N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide
CID 64563430
N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119275393
(2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164109
(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103809324
(2R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 104913432
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067743
N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 43703517
(3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81129873
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N,3-dimethyl-N-(1-pyridin-4-ylethyl)piperidine-2-carboxamide
CID 107067802
4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxolane-3-carboxamide
CID 66240658

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide (CID 54869659) is N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide is CC(c1ccc(F)cc1)N(C)C(=O)C1CCCN1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is QEFCYEPECVGDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10(11-5-7-12(15)8-6-11)17(2)14(18)13-4-3-9-16-13/h5-8,10,13,16H,3-4,9H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54869659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).