N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide

C18H18N2O2 — CID 888971

IUPACN-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17(14-7-2-1-3-8-14)19-16-10-6-9-15(13-16)18(22)20-11-4-5-12-20/h1-3,6-10,13H,4-5,11-12H2,(H,19,21)
InChIKeyGNNVSZXNBWAGNG-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.17
Rot. Bonds3

About N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide

N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 888971) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID888971
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17(14-7-2-1-3-8-14)19-16-10-6-9-15(13-16)18(22)20-11-4-5-12-20/h1-3,6-10,13H,4-5,11-12H2,(H,19,21)
InChIKeyGNNVSZXNBWAGNG-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 888971) is N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide is O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1.
What is the InChIKey of N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is GNNVSZXNBWAGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17(14-7-2-1-3-8-14)19-16-10-6-9-15(13-16)18(22)20-11-4-5-12-20/h1-3,6-10,13H,4-5,11-12H2,(H,19,21).
What are the key properties of N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 888971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).