2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide

C19H18ClN3O — CID 53147929

IUPAC2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide
SMILESCC(NC(=O)Cc1cccn1-c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C19H18ClN3O/c1-14(15-4-2-10-21-13-15)22-19(24)12-18-5-3-11-23(18)17-8-6-16(20)7-9-17/h2-11,13-14H,12H2,1H3,(H,22,24)
InChIKeyDGSGDIGLGUDBPV-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.95
Rot. Bonds5

About 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide

2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide (PubChem CID 53147929) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide
PubChem CID53147929
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide
SMILESCC(NC(=O)Cc1cccn1-c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C19H18ClN3O/c1-14(15-4-2-10-21-13-15)22-19(24)12-18-5-3-11-23(18)17-8-6-16(20)7-9-17/h2-11,13-14H,12H2,1H3,(H,22,24)
InChIKeyDGSGDIGLGUDBPV-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide (CID 53147929) is 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide is CC(NC(=O)Cc1cccn1-c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide?
The InChIKey is DGSGDIGLGUDBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-14(15-4-2-10-21-13-15)22-19(24)12-18-5-3-11-23(18)17-8-6-16(20)7-9-17/h2-11,13-14H,12H2,1H3,(H,22,24).
What are the key properties of 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide?
2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide has a molecular weight of 339.83 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(1-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 53147929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).