N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide

C22H27ClN2O4 — CID 55482977

IUPACN-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESCOc1ccc(OC)c(C2CCCN2CCC(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C22H27ClN2O4/c1-27-16-7-9-20(28-2)17(14-16)19-5-4-11-25(19)12-10-22(26)24-18-13-15(23)6-8-21(18)29-3/h6-9,13-14,19H,4-5,10-12H2,1-3H3,(H,24,26)
InChIKeyLTHOXVBFRVPGOF-UHFFFAOYSA-N
MW418.92 g/mol
LogP4.53
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide (PubChem CID 55482977) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
PubChem CID55482977
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESCOc1ccc(OC)c(C2CCCN2CCC(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C22H27ClN2O4/c1-27-16-7-9-20(28-2)17(14-16)19-5-4-11-25(19)12-10-22(26)24-18-13-15(23)6-8-21(18)29-3/h6-9,13-14,19H,4-5,10-12H2,1-3H3,(H,24,26)
InChIKeyLTHOXVBFRVPGOF-UHFFFAOYSA-N
XLogP4.53
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 24589296
N-(5-chloro-2-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831667
N-(4-bromo-2-fluorophenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 55482757
N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 30101864
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 26648109
N-(2-chloro-4-fluorophenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 16566283
N-(5-chloro-2-methoxyphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
CID 75834881
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46615040
3-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 51964095
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 8832070
N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55827066
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8832997

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide (CID 55482977) is N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide is COc1ccc(OC)c(C2CCCN2CCC(=O)Nc2cc(Cl)ccc2OC)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
The InChIKey is LTHOXVBFRVPGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c1-27-16-7-9-20(28-2)17(14-16)19-5-4-11-25(19)12-10-22(26)24-18-13-15(23)6-8-21(18)29-3/h6-9,13-14,19H,4-5,10-12H2,1-3H3,(H,24,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide has a molecular weight of 418.92 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 55482977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).