2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide

C18H16N2O2 — CID 86299218

IUPAC2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2Oc2ccccc2)cc1C(N)=O
InChIInChI=1S/C18H16N2O2/c1-12-15(18(19)21)11-16(20-12)14-9-5-6-10-17(14)22-13-7-3-2-4-8-13/h2-11,20H,1H3,(H2,19,21)
InChIKeyGIOFUGBJPWWPNJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.88
Rot. Bonds4

About 2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide

2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 86299218) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID86299218
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2Oc2ccccc2)cc1C(N)=O
InChIInChI=1S/C18H16N2O2/c1-12-15(18(19)21)11-16(20-12)14-9-5-6-10-17(14)22-13-7-3-2-4-8-13/h2-11,20H,1H3,(H2,19,21)
InChIKeyGIOFUGBJPWWPNJ-UHFFFAOYSA-N
XLogP3.88
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide (CID 86299218) is 2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccccc2Oc2ccccc2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is GIOFUGBJPWWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-15(18(19)21)11-16(20-12)14-9-5-6-10-17(14)22-13-7-3-2-4-8-13/h2-11,20H,1H3,(H2,19,21).
What are the key properties of 2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 86299218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).