1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide

C18H25FN2O3 — CID 110611908

IUPAC1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC1(CCNC(=O)C2CCCN2Cc2ccccc2F)OCCO1
InChIInChI=1S/C18H25FN2O3/c1-18(23-11-12-24-18)8-9-20-17(22)16-7-4-10-21(16)13-14-5-2-3-6-15(14)19/h2-3,5-6,16H,4,7-13H2,1H3,(H,20,22)
InChIKeyGSVGGOWSVDUETG-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.06
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide

1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 110611908) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID110611908
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC1(CCNC(=O)C2CCCN2Cc2ccccc2F)OCCO1
InChIInChI=1S/C18H25FN2O3/c1-18(23-11-12-24-18)8-9-20-17(22)16-7-4-10-21(16)13-14-5-2-3-6-15(14)19/h2-3,5-6,16H,4,7-13H2,1H3,(H,20,22)
InChIKeyGSVGGOWSVDUETG-UHFFFAOYSA-N
XLogP2.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 110632719
1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 110621560
1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 110620590
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 110620905
[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone
CID 110624429
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
1-[(3-fluoro-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112616195
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
(2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 124946093
[1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 110607627

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 110611908) is 1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide is CC1(CCNC(=O)C2CCCN2Cc2ccccc2F)OCCO1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is GSVGGOWSVDUETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-18(23-11-12-24-18)8-9-20-17(22)16-7-4-10-21(16)13-14-5-2-3-6-15(14)19/h2-3,5-6,16H,4,7-13H2,1H3,(H,20,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110611908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).