5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide

C15H21ClN2O2 — CID 106609149

IUPAC5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H21ClN2O2/c1-3-18(10-12-5-4-8-17-12)15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyPISAVFOUYPMOOG-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.56
Rot. Bonds5

About 5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide

5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106609149) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106609149
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H21ClN2O2/c1-3-18(10-12-5-4-8-17-12)15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyPISAVFOUYPMOOG-UHFFFAOYSA-N
XLogP2.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607639
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
4-chloro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611503
2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609343
5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106609136
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612263
N-(2-hydroxyethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612911
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608308

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106609149) is 5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide is CCN(CC1CCCN1)C(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is PISAVFOUYPMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-18(10-12-5-4-8-17-12)15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9,12,17H,3-5,8,10H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 296.80 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106609149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).