4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide

C19H17N3O2 — CID 754868

IUPAC4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(N)c(C(=O)c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C19H17N3O2/c1-12-15(19(21)24)16(20)17(18(23)13-8-4-2-5-9-13)22(12)14-10-6-3-7-11-14/h2-11H,20H2,1H3,(H2,21,24)
InChIKeyDXLCXPIADXYJOI-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.70
Rot. Bonds4

About 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide

4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide (PubChem CID 754868) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide
PubChem CID754868
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(N)c(C(=O)c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C19H17N3O2/c1-12-15(19(21)24)16(20)17(18(23)13-8-4-2-5-9-13)22(12)14-10-6-3-7-11-14/h2-11H,20H2,1H3,(H2,21,24)
InChIKeyDXLCXPIADXYJOI-UHFFFAOYSA-N
XLogP2.70
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide (CID 754868) is 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide is Cc1c(C(N)=O)c(N)c(C(=O)c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is DXLCXPIADXYJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-15(19(21)24)16(20)17(18(23)13-8-4-2-5-9-13)22(12)14-10-6-3-7-11-14/h2-11H,20H2,1H3,(H2,21,24).
What are the key properties of 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide?
4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 754868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).