ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate

C15H16N2O3 — CID 110695822

IUPACethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc[nH]c2C)cc1
InChIInChI=1S/C15H16N2O3/c1-3-20-15(19)11-4-6-12(7-5-11)17-14(18)13-8-9-16-10(13)2/h4-9,16H,3H2,1-2H3,(H,17,18)
InChIKeyPKWFGNSDEZURFV-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.75
Rot. Bonds4

About ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate

ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate (PubChem CID 110695822) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
PubChem CID110695822
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc[nH]c2C)cc1
InChIInChI=1S/C15H16N2O3/c1-3-20-15(19)11-4-6-12(7-5-11)17-14(18)13-8-9-16-10(13)2/h4-9,16H,3H2,1-2H3,(H,17,18)
InChIKeyPKWFGNSDEZURFV-UHFFFAOYSA-N
XLogP2.75
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate (CID 110695822) is ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc[nH]c2C)cc1.
What is the InChIKey of ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate?
The InChIKey is PKWFGNSDEZURFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-20-15(19)11-4-6-12(7-5-11)17-14(18)13-8-9-16-10(13)2/h4-9,16H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate?
ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate has a molecular weight of 272.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110695822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).