N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide

C13H14N2O2 — CID 168654134

IUPACN-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide
SMILESCCOc1ccc(NC=O)cc1-n1cccc1
InChIInChI=1S/C13H14N2O2/c1-2-17-13-6-5-11(14-10-16)9-12(13)15-7-3-4-8-15/h3-10H,2H2,1H3,(H,14,16)
InChIKeySJWSWRAHVXICQR-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.44
Rot. Bonds5

About N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide

N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide (PubChem CID 168654134) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide
PubChem CID168654134
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide
SMILESCCOc1ccc(NC=O)cc1-n1cccc1
InChIInChI=1S/C13H14N2O2/c1-2-17-13-6-5-11(14-10-16)9-12(13)15-7-3-4-8-15/h3-10H,2H2,1H3,(H,14,16)
InChIKeySJWSWRAHVXICQR-UHFFFAOYSA-N
XLogP2.44
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide?
The IUPAC name of N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide (CID 168654134) is N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide.
What is the SMILES notation for N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide?
The canonical SMILES for N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide is CCOc1ccc(NC=O)cc1-n1cccc1.
What is the InChIKey of N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide?
The InChIKey is SJWSWRAHVXICQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-17-13-6-5-11(14-10-16)9-12(13)15-7-3-4-8-15/h3-10H,2H2,1H3,(H,14,16).
What are the key properties of N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide?
N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide has a molecular weight of 230.27 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide is sourced from PubChem (CID 168654134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).