methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate

C15H15ClN2O3 — CID 43423137

IUPACmethyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1cc(Cl)cn1C
InChIInChI=1S/C15H15ClN2O3/c1-17-9-10(16)8-13(17)14(19)18(2)12-7-5-4-6-11(12)15(20)21-3/h4-9H,1-3H3
InChIKeyGYDNRKVJDLCSNR-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.74
Rot. Bonds3

About methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate

methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate (PubChem CID 43423137) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate
PubChem CID43423137
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Namemethyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1cc(Cl)cn1C
InChIInChI=1S/C15H15ClN2O3/c1-17-9-10(16)8-13(17)14(19)18(2)12-7-5-4-6-11(12)15(20)21-3/h4-9H,1-3H3
InChIKeyGYDNRKVJDLCSNR-UHFFFAOYSA-N
XLogP2.74
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate?
The IUPAC name of methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate (CID 43423137) is methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate.
What is the SMILES notation for methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate?
The canonical SMILES for methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate is COC(=O)c1ccccc1N(C)C(=O)c1cc(Cl)cn1C.
What is the InChIKey of methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate?
The InChIKey is GYDNRKVJDLCSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-17-9-10(16)8-13(17)14(19)18(2)12-7-5-4-6-11(12)15(20)21-3/h4-9H,1-3H3.
What are the key properties of methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate?
methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate has a molecular weight of 306.75 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate is sourced from PubChem (CID 43423137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).