N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide

C16H22F2N2O3 — CID 71849484

IUPACN-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide
SMILESCCOCC1CCN(C(=O)Nc2ccccc2OCC(F)F)C1
InChIInChI=1S/C16H22F2N2O3/c1-2-22-10-12-7-8-20(9-12)16(21)19-13-5-3-4-6-14(13)23-11-15(17)18/h3-6,12,15H,2,7-11H2,1H3,(H,19,21)
InChIKeyRFNLETUVBSWOEK-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.22
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide

N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 71849484) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide
PubChem CID71849484
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC NameN-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide
SMILESCCOCC1CCN(C(=O)Nc2ccccc2OCC(F)F)C1
InChIInChI=1S/C16H22F2N2O3/c1-2-22-10-12-7-8-20(9-12)16(21)19-13-5-3-4-6-14(13)23-11-15(17)18/h3-6,12,15H,2,7-11H2,1H3,(H,19,21)
InChIKeyRFNLETUVBSWOEK-UHFFFAOYSA-N
XLogP3.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
CID 118791173
(3R)-3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
CID 125179829
1-[[2-(2,2-difluoroethoxy)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102580
N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111453726
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
3-(methoxymethyl)-N-(2-propoxyphenyl)azetidine-1-carboxamide
CID 126831370
N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166619185
N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 90584758
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597013
N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311
N-[2-(cyclopropylmethoxy)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111453701
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide (CID 71849484) is N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide is CCOCC1CCN(C(=O)Nc2ccccc2OCC(F)F)C1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is RFNLETUVBSWOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c1-2-22-10-12-7-8-20(9-12)16(21)19-13-5-3-4-6-14(13)23-11-15(17)18/h3-6,12,15H,2,7-11H2,1H3,(H,19,21).
What are the key properties of N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide?
N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 328.36 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71849484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).