N-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide

C22H22N2O2 — CID 95573796

IUPACN-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide
SMILESO=C(c1cccc(-n2cccc2)c1)N(C[C@H]1CCOC1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-22(19-7-6-10-21(15-19)23-12-4-5-13-23)24(16-18-11-14-26-17-18)20-8-2-1-3-9-20/h1-10,12-13,15,18H,11,14,16-17H2/t18-/m1/s1
InChIKeyFJDOHGJBGRORCK-GOSISDBHSA-N
MW346.43 g/mol
LogP4.16
Rot. Bonds5

About N-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide

N-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide (PubChem CID 95573796) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide
PubChem CID95573796
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide
SMILESO=C(c1cccc(-n2cccc2)c1)N(C[C@H]1CCOC1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-22(19-7-6-10-21(15-19)23-12-4-5-13-23)24(16-18-11-14-26-17-18)20-8-2-1-3-9-20/h1-10,12-13,15,18H,11,14,16-17H2/t18-/m1/s1
InChIKeyFJDOHGJBGRORCK-GOSISDBHSA-N
XLogP4.16
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide (CID 95573796) is N-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide is O=C(c1cccc(-n2cccc2)c1)N(C[C@H]1CCOC1)c1ccccc1.
What is the InChIKey of N-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide?
The InChIKey is FJDOHGJBGRORCK-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-22(19-7-6-10-21(15-19)23-12-4-5-13-23)24(16-18-11-14-26-17-18)20-8-2-1-3-9-20/h1-10,12-13,15,18H,11,14,16-17H2/t18-/m1/s1.
What are the key properties of N-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide?
N-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-oxolan-3-yl]methyl]-N-phenyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 95573796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).