2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide

C14H15ClN2O — CID 110789402

IUPAC2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCCc1cc[nH]c1
InChIInChI=1S/C14H15ClN2O/c15-13-4-2-1-3-12(13)9-14(18)17-8-6-11-5-7-16-10-11/h1-5,7,10,16H,6,8-9H2,(H,17,18)
InChIKeyUFIRUVUGOFWLBI-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.57
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide

2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide (PubChem CID 110789402) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
PubChem CID110789402
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCCc1cc[nH]c1
InChIInChI=1S/C14H15ClN2O/c15-13-4-2-1-3-12(13)9-14(18)17-8-6-11-5-7-16-10-11/h1-5,7,10,16H,6,8-9H2,(H,17,18)
InChIKeyUFIRUVUGOFWLBI-UHFFFAOYSA-N
XLogP2.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 110789384
2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 115158043
2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100631897
2-(2-methoxyphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
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CID 108997925

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide (CID 110789402) is 2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide is O=C(Cc1ccccc1Cl)NCCc1cc[nH]c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide?
The InChIKey is UFIRUVUGOFWLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-13-4-2-1-3-12(13)9-14(18)17-8-6-11-5-7-16-10-11/h1-5,7,10,16H,6,8-9H2,(H,17,18).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide?
2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide has a molecular weight of 262.74 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide is sourced from PubChem (CID 110789402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).