3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide

C18H16N2O2 — CID 70560185

IUPAC3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide
SMILESCc1c(-c2cccc(O)c2)c(-c2ccccc2)cn1C(N)=O
InChIInChI=1S/C18H16N2O2/c1-12-17(14-8-5-9-15(21)10-14)16(11-20(12)18(19)22)13-6-3-2-4-7-13/h2-11,21H,1H3,(H2,19,22)
InChIKeyAQKGFNJABRQECX-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.76
Rot. Bonds2

About 3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide

3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide (PubChem CID 70560185) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide
PubChem CID70560185
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide
SMILESCc1c(-c2cccc(O)c2)c(-c2ccccc2)cn1C(N)=O
InChIInChI=1S/C18H16N2O2/c1-12-17(14-8-5-9-15(21)10-14)16(11-20(12)18(19)22)13-6-3-2-4-7-13/h2-11,21H,1H3,(H2,19,22)
InChIKeyAQKGFNJABRQECX-UHFFFAOYSA-N
XLogP3.76
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide?
The IUPAC name of 3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide (CID 70560185) is 3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide is Cc1c(-c2cccc(O)c2)c(-c2ccccc2)cn1C(N)=O.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide?
The InChIKey is AQKGFNJABRQECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-17(14-8-5-9-15(21)10-14)16(11-20(12)18(19)22)13-6-3-2-4-7-13/h2-11,21H,1H3,(H2,19,22).
What are the key properties of 3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide?
3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-methyl-4-phenylpyrrole-1-carboxamide is sourced from PubChem (CID 70560185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).