N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide

C20H23ClN2O2 — CID 95726095

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1[C@H]1CCNC1
InChIInChI=1S/C20H23ClN2O2/c1-23(13-15-11-16(21)7-8-19(15)25-2)20(24)18-6-4-3-5-17(18)14-9-10-22-12-14/h3-8,11,14,22H,9-10,12-13H2,1-2H3/t14-/m0/s1
InChIKeyXKSYHKJRAFLJIT-AWEZNQCLSA-N
MW358.87 g/mol
LogP3.70
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 95726095) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID95726095
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1[C@H]1CCNC1
InChIInChI=1S/C20H23ClN2O2/c1-23(13-15-11-16(21)7-8-19(15)25-2)20(24)18-6-4-3-5-17(18)14-9-10-22-12-14/h3-8,11,14,22H,9-10,12-13H2,1-2H3/t14-/m0/s1
InChIKeyXKSYHKJRAFLJIT-AWEZNQCLSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 115158922
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride
CID 154895225
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide
CID 55416097
2-(2-amino-2-oxoethoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 32762843
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95720866
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119694366
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55417929
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
CID 82620503
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide (CID 95726095) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide is COc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1[C@H]1CCNC1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is XKSYHKJRAFLJIT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-23(13-15-11-16(21)7-8-19(15)25-2)20(24)18-6-4-3-5-17(18)14-9-10-22-12-14/h3-8,11,14,22H,9-10,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 358.87 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95726095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).