1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide

C19H17ClN2O3 — CID 177379887

IUPAC1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn2-c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H17ClN2O3/c1-24-17-10-7-14(12-18(17)25-2)21-19(23)16-4-3-11-22(16)15-8-5-13(20)6-9-15/h3-12H,1-2H3,(H,21,23)
InChIKeyTZLJFVXFZAMUBM-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.40
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide

1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide (PubChem CID 177379887) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide
PubChem CID177379887
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn2-c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H17ClN2O3/c1-24-17-10-7-14(12-18(17)25-2)21-19(23)16-4-3-11-22(16)15-8-5-13(20)6-9-15/h3-12H,1-2H3,(H,21,23)
InChIKeyTZLJFVXFZAMUBM-UHFFFAOYSA-N
XLogP4.40
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide (CID 177379887) is 1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide is COc1ccc(NC(=O)c2cccn2-c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide?
The InChIKey is TZLJFVXFZAMUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-24-17-10-7-14(12-18(17)25-2)21-19(23)16-4-3-11-22(16)15-8-5-13(20)6-9-15/h3-12H,1-2H3,(H,21,23).
What are the key properties of 1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide?
1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 177379887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).