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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Related Compounds

N-[3-(3-Methyl-4-Oxo-4,5,6,7-Tetrahydro-2h-Isoindol-1-Yl)-4-Phenoxyphenyl]methanesulfonamide
CID 71760902
5-[2-(4-Chlorophenoxy)phenyl]-2-Methyl-1h-Pyrrole-3-Carboxamide
CID 90413480
(E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one
CID 118732206
4-(5-(5,8-Dimethyl-2H-1-benzopyran-3-yl)-1H-pyrrol-2-yl)benzoic acid
CID 9950063
4-[5-(5-methyl-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid
CID 18709768
2-(3-Methoxy-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809725
2-(4-Methoxy-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809726
2-(2-Methoxy-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 49788792
US9776990, Example 2
CID 71811973
1-(5-amino-2-phenoxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H-isoindol-4-one
CID 71812048
US9776990, Example 55
CID 71812067
3-Methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one
CID 86270617

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).