2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide

C20H25ClN2O3 — CID 42889442

IUPAC2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C20H25ClN2O3/c1-20(2,26-16-9-7-15(21)8-10-16)19(24)22-14-17(18-6-5-13-25-18)23-11-3-4-12-23/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,22,24)
InChIKeyXEQWHZAKAZPSDF-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.04
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide (PubChem CID 42889442) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide
PubChem CID42889442
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C20H25ClN2O3/c1-20(2,26-16-9-7-15(21)8-10-16)19(24)22-14-17(18-6-5-13-25-18)23-11-3-4-12-23/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,22,24)
InChIKeyXEQWHZAKAZPSDF-UHFFFAOYSA-N
XLogP4.04
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 112503361
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 60595407
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpentanamide
CID 61247932
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-2-phenylpropanamide
CID 37171547
4-[(4-chlorophenyl)methyl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide
CID 31325262
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 40744935
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide (CID 42889442) is 2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide?
The InChIKey is XEQWHZAKAZPSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-20(2,26-16-9-7-15(21)8-10-16)19(24)22-14-17(18-6-5-13-25-18)23-11-3-4-12-23/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide has a molecular weight of 376.88 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide is sourced from PubChem (CID 42889442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).