5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride

C18H17ClN2O — CID 175983972

IUPAC5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2ccc(-c3ccc(C(N)=O)[nH]3)cc2)cc1.Cl
InChIInChI=1S/C18H16N2O.ClH/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(20-16)18(19)21;/h2-11,20H,1H3,(H2,19,21);1H
InChIKeyITDKSTWVEPOPFL-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.18
Rot. Bonds3

About 5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride

5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 175983972) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID175983972
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2ccc(-c3ccc(C(N)=O)[nH]3)cc2)cc1.Cl
InChIInChI=1S/C18H16N2O.ClH/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(20-16)18(19)21;/h2-11,20H,1H3,(H2,19,21);1H
InChIKeyITDKSTWVEPOPFL-UHFFFAOYSA-N
XLogP4.18
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride (CID 175983972) is 5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride is Cc1ccc(-c2ccc(-c3ccc(C(N)=O)[nH]3)cc2)cc1.Cl.
What is the InChIKey of 5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is ITDKSTWVEPOPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O.ClH/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(20-16)18(19)21;/h2-11,20H,1H3,(H2,19,21);1H.
What are the key properties of 5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride?
5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 175983972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).