5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide

C17H13ClN2O — CID 170693753

IUPAC5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)[nH]1
InChIInChI=1S/C17H13ClN2O/c18-14-7-5-12(6-8-14)11-1-3-13(4-2-11)15-9-10-16(20-15)17(19)21/h1-10,20H,(H2,19,21)
InChIKeyUWKOECZQVMAPKS-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.10
Rot. Bonds3

About 5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide

5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 170693753) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID170693753
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)[nH]1
InChIInChI=1S/C17H13ClN2O/c18-14-7-5-12(6-8-14)11-1-3-13(4-2-11)15-9-10-16(20-15)17(19)21/h1-10,20H,(H2,19,21)
InChIKeyUWKOECZQVMAPKS-UHFFFAOYSA-N
XLogP4.10
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide (CID 170693753) is 5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide is NC(=O)c1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)[nH]1.
What is the InChIKey of 5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is UWKOECZQVMAPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-14-7-5-12(6-8-14)11-1-3-13(4-2-11)15-9-10-16(20-15)17(19)21/h1-10,20H,(H2,19,21).
What are the key properties of 5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide?
5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 170693753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).