methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate

C15H16N2O3 — CID 43638981

IUPACmethyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate
SMILESCCn1cccc1C(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H16N2O3/c1-3-17-10-4-5-13(17)14(18)16-12-8-6-11(7-9-12)15(19)20-2/h4-10H,3H2,1-2H3,(H,16,18)
InChIKeyYRALRUOCNBXLTF-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.55
Rot. Bonds4

About methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate

methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate (PubChem CID 43638981) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate
PubChem CID43638981
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate
SMILESCCn1cccc1C(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H16N2O3/c1-3-17-10-4-5-13(17)14(18)16-12-8-6-11(7-9-12)15(19)20-2/h4-10H,3H2,1-2H3,(H,16,18)
InChIKeyYRALRUOCNBXLTF-UHFFFAOYSA-N
XLogP2.55
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 61400251
2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 61398408
methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692912
methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]benzoate
CID 43422488
2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325224
methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
CID 86991803
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methyl 4-[(2-sulfanylacetyl)amino]benzoate
CID 59707367
methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate
CID 61112066
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate
CID 110681771
methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 43638993

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate (CID 43638981) is methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate is CCn1cccc1C(=O)Nc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate?
The InChIKey is YRALRUOCNBXLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-17-10-4-5-13(17)14(18)16-12-8-6-11(7-9-12)15(19)20-2/h4-10H,3H2,1-2H3,(H,16,18).
What are the key properties of methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate?
methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate has a molecular weight of 272.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 43638981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).