N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide

C24H29ClN2O3 — CID 43044692

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCCC1)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C24H29ClN2O3/c25-22-11-2-1-10-21(22)23(27-12-3-4-13-27)16-26-24(28)18-7-5-8-19(15-18)30-17-20-9-6-14-29-20/h1-2,5,7-8,10-11,15,20,23H,3-4,6,9,12-14,16-17H2,(H,26,28)
InChIKeyUEDKZYHBKPPIOL-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.46
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 43044692) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID43044692
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCCC1)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C24H29ClN2O3/c25-22-11-2-1-10-21(22)23(27-12-3-4-13-27)16-26-24(28)18-7-5-8-19(15-18)30-17-20-9-6-14-29-20/h1-2,5,7-8,10-11,15,20,23H,3-4,6,9,12-14,16-17H2,(H,26,28)
InChIKeyUEDKZYHBKPPIOL-UHFFFAOYSA-N
XLogP4.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43005842
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide
CID 35041715
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199
3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 35041734
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide;hydrochloride
CID 52984554
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044138
N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 119619503
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 30687716

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide (CID 43044692) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide is O=C(NCC(c1ccccc1Cl)N1CCCC1)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is UEDKZYHBKPPIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c25-22-11-2-1-10-21(22)23(27-12-3-4-13-27)16-26-24(28)18-7-5-8-19(15-18)30-17-20-9-6-14-29-20/h1-2,5,7-8,10-11,15,20,23H,3-4,6,9,12-14,16-17H2,(H,26,28).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 428.96 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 43044692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).