N-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide

C18H16N2O2 — CID 13016195

IUPACN-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2)n2cccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-22-17-11-9-16(10-12-17)20(19-13-5-6-14-19)18(21)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyOTVRBKKATHMHER-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.61
Rot. Bonds4

About N-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide

N-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide (PubChem CID 13016195) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide
PubChem CID13016195
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2)n2cccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-22-17-11-9-16(10-12-17)20(19-13-5-6-14-19)18(21)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyOTVRBKKATHMHER-UHFFFAOYSA-N
XLogP3.61
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide?
The IUPAC name of N-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide (CID 13016195) is N-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide is COc1ccc(N(C(=O)c2ccccc2)n2cccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide?
The InChIKey is OTVRBKKATHMHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-17-11-9-16(10-12-17)20(19-13-5-6-14-19)18(21)15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide?
N-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-pyrrol-1-ylbenzamide is sourced from PubChem (CID 13016195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).