N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide

C15H17ClN2O2 — CID 4571026

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)ccc2C)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10-4-5-11(2)18(10)9-15(19)17-12-6-7-14(20-3)13(16)8-12/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyHGNIKONDRDOILG-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.41
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide (PubChem CID 4571026) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
PubChem CID4571026
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)ccc2C)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10-4-5-11(2)18(10)9-15(19)17-12-6-7-14(20-3)13(16)8-12/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyHGNIKONDRDOILG-UHFFFAOYSA-N
XLogP3.41
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide (CID 4571026) is N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide is COc1ccc(NC(=O)Cn2c(C)ccc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide?
The InChIKey is HGNIKONDRDOILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10-4-5-11(2)18(10)9-15(19)17-12-6-7-14(20-3)13(16)8-12/h4-8H,9H2,1-3H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide has a molecular weight of 292.77 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide is sourced from PubChem (CID 4571026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).