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

C18H17N3O — CID 86299086

IUPAC5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2Nc2ccccc2)cc1C(N)=O
InChIInChI=1S/C18H17N3O/c1-12-15(18(19)22)11-17(20-12)14-9-5-6-10-16(14)21-13-7-3-2-4-8-13/h2-11,20-21H,1H3,(H2,19,22)
InChIKeyUBFGQVREMCMKPU-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.83
Rot. Bonds4

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

5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 86299086) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID86299086
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2Nc2ccccc2)cc1C(N)=O
InChIInChI=1S/C18H17N3O/c1-12-15(18(19)22)11-17(20-12)14-9-5-6-10-16(14)21-13-7-3-2-4-8-13/h2-11,20-21H,1H3,(H2,19,22)
InChIKeyUBFGQVREMCMKPU-UHFFFAOYSA-N
XLogP3.83
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide (CID 86299086) is 5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccccc2Nc2ccccc2)cc1C(N)=O.
What is the InChIKey of 5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is UBFGQVREMCMKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-15(18(19)22)11-17(20-12)14-9-5-6-10-16(14)21-13-7-3-2-4-8-13/h2-11,20-21H,1H3,(H2,19,22).
What are the key properties of 5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilinophenyl)-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 86299086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).