N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide

C18H20N2O — CID 91394219

IUPACN-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1cccc(N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C18H20N2O/c21-18(16-8-2-1-3-9-16)19-14-15-7-6-10-17(13-15)20-11-4-5-12-20/h1-3,6-10,13H,4-5,11-12,14H2,(H,19,21)
InChIKeyRXMWBRUDFZCLLW-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.22
Rot. Bonds4

About N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide

N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 91394219) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID91394219
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1cccc(N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C18H20N2O/c21-18(16-8-2-1-3-9-16)19-14-15-7-6-10-17(13-15)20-11-4-5-12-20/h1-3,6-10,13H,4-5,11-12,14H2,(H,19,21)
InChIKeyRXMWBRUDFZCLLW-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108907
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108735
N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 110667684
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108860
1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide
CID 72880637
(3-thiomorpholin-4-ylphenyl)methylcarbamic acid
CID 118480871
2-[3-(azepan-1-yl)phenyl]acetic acid
CID 79695336
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 91394219) is N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide is O=C(NCc1cccc(N2CCCC2)c1)c1ccccc1.
What is the InChIKey of N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is RXMWBRUDFZCLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(16-8-2-1-3-9-16)19-14-15-7-6-10-17(13-15)20-11-4-5-12-20/h1-3,6-10,13H,4-5,11-12,14H2,(H,19,21).
What are the key properties of N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide?
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 91394219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).