N-phenyl-2-pyrrolidin-1-ylbenzamide

C17H18N2O — CID 168515905

IUPACN-phenyl-2-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1N1CCCC1
InChIInChI=1S/C17H18N2O/c20-17(18-14-8-2-1-3-9-14)15-10-4-5-11-16(15)19-12-6-7-13-19/h1-5,8-11H,6-7,12-13H2,(H,18,20)
InChIKeyXFGSMENLBOUGCF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.54
Rot. Bonds3

About N-phenyl-2-pyrrolidin-1-ylbenzamide

N-phenyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 168515905) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-phenyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-phenyl-2-pyrrolidin-1-ylbenzamide
PubChem CID168515905
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-phenyl-2-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1N1CCCC1
InChIInChI=1S/C17H18N2O/c20-17(18-14-8-2-1-3-9-14)15-10-4-5-11-16(15)19-12-6-7-13-19/h1-5,8-11H,6-7,12-13H2,(H,18,20)
InChIKeyXFGSMENLBOUGCF-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-2-pyrrolidin-1-ylbenzamide
CID 168513079
2-pyrrolidin-1-ylbenzoyl chloride
CID 140507858
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
N-(1H-indazol-3-yl)-2-piperidin-1-ylbenzamide
CID 126622679
2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide
CID 123428745
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
CID 1220386
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
2-hydroxy-N-phenylbenzamide
CID 157209959
4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide
CID 168511942

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-phenyl-2-pyrrolidin-1-ylbenzamide (CID 168515905) is N-phenyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-phenyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-phenyl-2-pyrrolidin-1-ylbenzamide is O=C(Nc1ccccc1)c1ccccc1N1CCCC1.
What is the InChIKey of N-phenyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is XFGSMENLBOUGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17(18-14-8-2-1-3-9-14)15-10-4-5-11-16(15)19-12-6-7-13-19/h1-5,8-11H,6-7,12-13H2,(H,18,20).
What are the key properties of N-phenyl-2-pyrrolidin-1-ylbenzamide?
N-phenyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 266.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 168515905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).