5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide

C21H25ClN2O2 — CID 131891063

IUPAC5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCN1CCC(c2ccccc2C)C1
InChIInChI=1S/C21H25ClN2O2/c1-15-5-3-4-6-18(15)16-9-11-24(14-16)12-10-23-21(25)19-13-17(22)7-8-20(19)26-2/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyFQZLGRKNGLPVLL-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.88
Rot. Bonds6

About 5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide

5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide (PubChem CID 131891063) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
PubChem CID131891063
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCN1CCC(c2ccccc2C)C1
InChIInChI=1S/C21H25ClN2O2/c1-15-5-3-4-6-18(15)16-9-11-24(14-16)12-10-23-21(25)19-13-17(22)7-8-20(19)26-2/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyFQZLGRKNGLPVLL-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide (CID 131891063) is 5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCN1CCC(c2ccccc2C)C1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide?
The InChIKey is FQZLGRKNGLPVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15-5-3-4-6-18(15)16-9-11-24(14-16)12-10-23-21(25)19-13-17(22)7-8-20(19)26-2/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of 5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide?
5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide has a molecular weight of 372.90 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 131891063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).