N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide

C15H17ClN2O — CID 112529546

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCCc2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C15H17ClN2O/c1-11-7-13(10-18-11)9-15(19)17-6-5-12-3-2-4-14(16)8-12/h2-4,7-8,10,18H,5-6,9H2,1H3,(H,17,19)
InChIKeyCWYXCSFTKDXSQK-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.88
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide

N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide (PubChem CID 112529546) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
PubChem CID112529546
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCCc2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C15H17ClN2O/c1-11-7-13(10-18-11)9-15(19)17-6-5-12-3-2-4-14(16)8-12/h2-4,7-8,10,18H,5-6,9H2,1H3,(H,17,19)
InChIKeyCWYXCSFTKDXSQK-UHFFFAOYSA-N
XLogP2.88
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2166305
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N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
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N-[2-(3-chlorophenyl)ethyl]-2-(2,6-dimethylanilino)acetamide
CID 32908644
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)acetamide
CID 110690667
N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
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3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
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methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide (CID 112529546) is N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide is Cc1cc(CC(=O)NCCc2cccc(Cl)c2)c[nH]1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The InChIKey is CWYXCSFTKDXSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11-7-13(10-18-11)9-15(19)17-6-5-12-3-2-4-14(16)8-12/h2-4,7-8,10,18H,5-6,9H2,1H3,(H,17,19).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide has a molecular weight of 276.77 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 112529546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).