N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide

C14H15ClN2O3 — CID 3238057

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2cccc2)cc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-19-12-8-13(20-2)11(7-10(12)15)16-14(18)9-17-5-3-4-6-17/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyMNXYNNMXJSNYJA-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.80
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide (PubChem CID 3238057) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide
PubChem CID3238057
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2cccc2)cc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-19-12-8-13(20-2)11(7-10(12)15)16-14(18)9-17-5-3-4-6-17/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyMNXYNNMXJSNYJA-UHFFFAOYSA-N
XLogP2.80
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide (CID 3238057) is N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide is COc1cc(OC)c(NC(=O)Cn2cccc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide?
The InChIKey is MNXYNNMXJSNYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-19-12-8-13(20-2)11(7-10(12)15)16-14(18)9-17-5-3-4-6-17/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide has a molecular weight of 294.74 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 3238057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).