2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide

C15H17ClN2O — CID 53148021

IUPAC2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1cccn1-c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-11(2)17-15(19)10-14-7-4-8-18(14)13-6-3-5-12(16)9-13/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyRTRWTWAJMZYPOG-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.20
Rot. Bonds4

About 2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide

2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide (PubChem CID 53148021) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide
PubChem CID53148021
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1cccn1-c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-11(2)17-15(19)10-14-7-4-8-18(14)13-6-3-5-12(16)9-13/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyRTRWTWAJMZYPOG-UHFFFAOYSA-N
XLogP3.20
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide (CID 53148021) is 2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1cccn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide?
The InChIKey is RTRWTWAJMZYPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11(2)17-15(19)10-14-7-4-8-18(14)13-6-3-5-12(16)9-13/h3-9,11H,10H2,1-2H3,(H,17,19).
What are the key properties of 2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide?
2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide has a molecular weight of 276.77 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 53148021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).