N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide

C19H22N2O3 — CID 71863722

IUPACN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)c3ccccc3)C2)c1
InChIInChI=1S/C19H22N2O3/c1-23-17-10-16(11-18(12-17)24-2)21-9-8-15(13-21)20-19(22)14-6-4-3-5-7-14/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,20,22)
InChIKeyFTVUCGDHXRLMAK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.71
Rot. Bonds5

About N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide (PubChem CID 71863722) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
PubChem CID71863722
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)c3ccccc3)C2)c1
InChIInChI=1S/C19H22N2O3/c1-23-17-10-16(11-18(12-17)24-2)21-9-8-15(13-21)20-19(22)14-6-4-3-5-7-14/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,20,22)
InChIKeyFTVUCGDHXRLMAK-UHFFFAOYSA-N
XLogP2.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 71863545
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide
CID 91644359
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119899338
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563
N-[2-[[N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111925431
N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
CID 155637447
N-[2-[[N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111925430
4-amino-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
CID 120597456
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119899355
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 139001144

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide (CID 71863722) is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide is COc1cc(OC)cc(N2CCC(NC(=O)c3ccccc3)C2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide?
The InChIKey is FTVUCGDHXRLMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-17-10-16(11-18(12-17)24-2)21-9-8-15(13-21)20-19(22)14-6-4-3-5-7-14/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide?
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 71863722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).