2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide

C20H18N2O3 — CID 31393111

IUPAC2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide
SMILESCn1cccc1C(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H18N2O3/c1-22-13-7-11-17(22)18(23)14-25-19-12-6-5-10-16(19)20(24)21-15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H,21,24)
InChIKeyBDTWXXLUXHBADR-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.54
Rot. Bonds6

About 2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide

2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 31393111) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide
PubChem CID31393111
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide
SMILESCn1cccc1C(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H18N2O3/c1-22-13-7-11-17(22)18(23)14-25-19-12-6-5-10-16(19)20(24)21-15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H,21,24)
InChIKeyBDTWXXLUXHBADR-UHFFFAOYSA-N
XLogP3.54
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide (CID 31393111) is 2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide is Cn1cccc1C(=O)COc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is BDTWXXLUXHBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-22-13-7-11-17(22)18(23)14-25-19-12-6-5-10-16(19)20(24)21-15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H,21,24).
What are the key properties of 2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide?
2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 334.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 31393111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).