N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide

C16H18N2O3 — CID 97237392

IUPACN-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C16H18N2O3/c1-2-18(9-10-19)16(21)13-5-3-12(4-6-13)15(20)14-7-8-17-11-14/h3-8,11,17,19H,2,9-10H2,1H3
InChIKeyISYJRHXRINHHLK-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.70
Rot. Bonds6

About N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide

N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide (PubChem CID 97237392) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide
PubChem CID97237392
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C16H18N2O3/c1-2-18(9-10-19)16(21)13-5-3-12(4-6-13)15(20)14-7-8-17-11-14/h3-8,11,17,19H,2,9-10H2,1H3
InChIKeyISYJRHXRINHHLK-UHFFFAOYSA-N
XLogP1.70
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide (CID 97237392) is N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide is CCN(CCO)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide?
The InChIKey is ISYJRHXRINHHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-18(9-10-19)16(21)13-5-3-12(4-6-13)15(20)14-7-8-17-11-14/h3-8,11,17,19H,2,9-10H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide?
N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide has a molecular weight of 286.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-4-(1H-pyrrole-3-carbonyl)benzamide is sourced from PubChem (CID 97237392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).