6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide

C13H15ClN2O2 — CID 119504069

IUPAC6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
SMILESCNCCNC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C13H15ClN2O2/c1-15-4-5-16-13(17)10-6-9-7-11(14)2-3-12(9)18-8-10/h2-3,6-7,15H,4-5,8H2,1H3,(H,16,17)
InChIKeyWQRJYMPANHUACU-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.45
Rot. Bonds4

About 6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide

6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide (PubChem CID 119504069) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
PubChem CID119504069
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
SMILESCNCCNC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C13H15ClN2O2/c1-15-4-5-16-13(17)10-6-9-7-11(14)2-3-12(9)18-8-10/h2-3,6-7,15H,4-5,8H2,1H3,(H,16,17)
InChIKeyWQRJYMPANHUACU-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide (CID 119504069) is 6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide is CNCCNC(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide?
The InChIKey is WQRJYMPANHUACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-15-4-5-16-13(17)10-6-9-7-11(14)2-3-12(9)18-8-10/h2-3,6-7,15H,4-5,8H2,1H3,(H,16,17).
What are the key properties of 6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide?
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 119504069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).