N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide

C14H15ClN2O — CID 20880518

IUPACN-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O/c15-13-5-3-12(4-6-13)7-8-16-14(18)11-17-9-1-2-10-17/h1-6,9-10H,7-8,11H2,(H,16,18)
InChIKeyYZBLBERZOCFRLJ-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide

N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide (PubChem CID 20880518) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide
PubChem CID20880518
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O/c15-13-5-3-12(4-6-13)7-8-16-14(18)11-17-9-1-2-10-17/h1-6,9-10H,7-8,11H2,(H,16,18)
InChIKeyYZBLBERZOCFRLJ-UHFFFAOYSA-N
XLogP2.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide (CID 20880518) is N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide?
The InChIKey is YZBLBERZOCFRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-13-5-3-12(4-6-13)7-8-16-14(18)11-17-9-1-2-10-17/h1-6,9-10H,7-8,11H2,(H,16,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide has a molecular weight of 262.74 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 20880518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).