6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide

C13H13ClN2O3 — CID 70683992

IUPAC6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)NCCOC
InChIInChI=1S/C13H13ClN2O3/c1-18-5-4-16-13(17)10-7-8-6-9(14)2-3-11(8)19-12(10)15/h2-3,6-7,15H,4-5H2,1H3,(H,16,17)/b15-12-
InChIKeyWOULAXGTNSUUFN-QINSGFPZSA-N
MW280.71 g/mol
LogP1.94
Rot. Bonds4

About 6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide

6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide (PubChem CID 70683992) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide
PubChem CID70683992
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)NCCOC
InChIInChI=1S/C13H13ClN2O3/c1-18-5-4-16-13(17)10-7-8-6-9(14)2-3-11(8)19-12(10)15/h2-3,6-7,15H,4-5H2,1H3,(H,16,17)/b15-12-
InChIKeyWOULAXGTNSUUFN-QINSGFPZSA-N
XLogP1.94
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide?
The IUPAC name of 6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide (CID 70683992) is 6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide is [H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)NCCOC.
What is the InChIKey of 6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide?
The InChIKey is WOULAXGTNSUUFN-QINSGFPZSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-18-5-4-16-13(17)10-7-8-6-9(14)2-3-11(8)19-12(10)15/h2-3,6-7,15H,4-5H2,1H3,(H,16,17)/b15-12-.
What are the key properties of 6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide?
6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide has a molecular weight of 280.71 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-imino-N-(2-methoxyethyl)chromene-3-carboxamide is sourced from PubChem (CID 70683992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).