N-(2-methylphenyl)-2-pyrrol-1-ylacetamide

C13H14N2O — CID 3243600

IUPACN-(2-methylphenyl)-2-pyrrol-1-ylacetamide
SMILESCc1ccccc1NC(=O)Cn1cccc1
InChIInChI=1S/C13H14N2O/c1-11-6-2-3-7-12(11)14-13(16)10-15-8-4-5-9-15/h2-9H,10H2,1H3,(H,14,16)
InChIKeyKEEJSYMHRNDPEP-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.44
Rot. Bonds3

About N-(2-methylphenyl)-2-pyrrol-1-ylacetamide

N-(2-methylphenyl)-2-pyrrol-1-ylacetamide (PubChem CID 3243600) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-pyrrol-1-ylacetamide
PubChem CID3243600
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-(2-methylphenyl)-2-pyrrol-1-ylacetamide
SMILESCc1ccccc1NC(=O)Cn1cccc1
InChIInChI=1S/C13H14N2O/c1-11-6-2-3-7-12(11)14-13(16)10-15-8-4-5-9-15/h2-9H,10H2,1H3,(H,14,16)
InChIKeyKEEJSYMHRNDPEP-UHFFFAOYSA-N
XLogP2.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(2-methylphenyl)-2-pyrrol-1-ylacetamide (CID 3243600) is N-(2-methylphenyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-pyrrol-1-ylacetamide is Cc1ccccc1NC(=O)Cn1cccc1.
What is the InChIKey of N-(2-methylphenyl)-2-pyrrol-1-ylacetamide?
The InChIKey is KEEJSYMHRNDPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-11-6-2-3-7-12(11)14-13(16)10-15-8-4-5-9-15/h2-9H,10H2,1H3,(H,14,16).
What are the key properties of N-(2-methylphenyl)-2-pyrrol-1-ylacetamide?
N-(2-methylphenyl)-2-pyrrol-1-ylacetamide has a molecular weight of 214.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 3243600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).