2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

C18H20N2O2 — CID 960710

IUPAC2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H20N2O2/c1-22-17-7-3-2-6-16(17)18(21)19-14-8-10-15(11-9-14)20-12-4-5-13-20/h2-3,6-11H,4-5,12-13H2,1H3,(H,19,21)
InChIKeyPGEIVTJEXFVSGB-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.55
Rot. Bonds4

About 2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 960710) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID960710
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H20N2O2/c1-22-17-7-3-2-6-16(17)18(21)19-14-8-10-15(11-9-14)20-12-4-5-13-20/h2-3,6-11H,4-5,12-13H2,1H3,(H,19,21)
InChIKeyPGEIVTJEXFVSGB-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
2-methoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 2237237
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91676435
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
CID 110352322
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
CID 50946132
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 110439047
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2-methoxybenzamide
CID 110408869

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 960710) is 2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide is COc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is PGEIVTJEXFVSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-17-7-3-2-6-16(17)18(21)19-14-8-10-15(11-9-14)20-12-4-5-13-20/h2-3,6-11H,4-5,12-13H2,1H3,(H,19,21).
What are the key properties of 2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 960710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).