ethyl 2-formamido-3-methylbenzoate

C11H13NO3 — CID 168653246

IUPACethyl 2-formamido-3-methylbenzoate
SMILESCCOC(=O)c1cccc(C)c1NC=O
InChIInChI=1S/C11H13NO3/c1-3-15-11(14)9-6-4-5-8(2)10(9)12-7-13/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyDITVPTDQMATHQT-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.74
Rot. Bonds4

About ethyl 2-formamido-3-methylbenzoate

ethyl 2-formamido-3-methylbenzoate (PubChem CID 168653246) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl 2-formamido-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-formamido-3-methylbenzoate
PubChem CID168653246
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethyl 2-formamido-3-methylbenzoate
SMILESCCOC(=O)c1cccc(C)c1NC=O
InChIInChI=1S/C11H13NO3/c1-3-15-11(14)9-6-4-5-8(2)10(9)12-7-13/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyDITVPTDQMATHQT-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.74
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 ethyl 2-formamido-3-methylbenzoate?
The IUPAC name of ethyl 2-formamido-3-methylbenzoate (CID 168653246) is ethyl 2-formamido-3-methylbenzoate.
What is the SMILES notation for ethyl 2-formamido-3-methylbenzoate?
The canonical SMILES for ethyl 2-formamido-3-methylbenzoate is CCOC(=O)c1cccc(C)c1NC=O.
What is the InChIKey of ethyl 2-formamido-3-methylbenzoate?
The InChIKey is DITVPTDQMATHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-15-11(14)9-6-4-5-8(2)10(9)12-7-13/h4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-formamido-3-methylbenzoate?
ethyl 2-formamido-3-methylbenzoate has a molecular weight of 207.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formamido-3-methylbenzoate is sourced from PubChem (CID 168653246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).