N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide

C22H25N3O2 — CID 989373

IUPACN-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide
SMILESO=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c26-21(17-8-2-1-3-9-17)23-19-16-18(22(27)25-14-6-7-15-25)10-11-20(19)24-12-4-5-13-24/h1-3,8-11,16H,4-7,12-15H2,(H,23,26)
InChIKeyVEOQITXIFJWNLO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.78
Rot. Bonds4

About N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide

N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide (PubChem CID 989373) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide.

Molecular Properties

Compound NameN-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide
PubChem CID989373
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide
SMILESO=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c26-21(17-8-2-1-3-9-17)23-19-16-18(22(27)25-14-6-7-15-25)10-11-20(19)24-12-4-5-13-24/h1-3,8-11,16H,4-7,12-15H2,(H,23,26)
InChIKeyVEOQITXIFJWNLO-UHFFFAOYSA-N
XLogP3.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide?
The IUPAC name of N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide (CID 989373) is N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide.
What is the SMILES notation for N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide?
The canonical SMILES for N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide is O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)c1ccccc1.
What is the InChIKey of N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide?
The InChIKey is VEOQITXIFJWNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(17-8-2-1-3-9-17)23-19-16-18(22(27)25-14-6-7-15-25)10-11-20(19)24-12-4-5-13-24/h1-3,8-11,16H,4-7,12-15H2,(H,23,26).
What are the key properties of N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide?
N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide is sourced from PubChem (CID 989373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).