2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide

C17H13FN2O3 — CID 2324153

IUPAC2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide
SMILESCOc1ccc2o/c(=N\c3cccc(F)c3)c(C(N)=O)cc2c1
InChIInChI=1S/C17H13FN2O3/c1-22-13-5-6-15-10(7-13)8-14(16(19)21)17(23-15)20-12-4-2-3-11(18)9-12/h2-9H,1H3,(H2,19,21)/b20-17-
InChIKeyKBSAZIHGZPKBEQ-JZJYNLBNSA-N
MW312.30 g/mol
LogP2.91
Rot. Bonds3

About 2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide

2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide (PubChem CID 2324153) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide
PubChem CID2324153
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide
SMILESCOc1ccc2o/c(=N\c3cccc(F)c3)c(C(N)=O)cc2c1
InChIInChI=1S/C17H13FN2O3/c1-22-13-5-6-15-10(7-13)8-14(16(19)21)17(23-15)20-12-4-2-3-11(18)9-12/h2-9H,1H3,(H2,19,21)/b20-17-
InChIKeyKBSAZIHGZPKBEQ-JZJYNLBNSA-N
XLogP2.91
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide (CID 2324153) is 2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide is COc1ccc2o/c(=N\c3cccc(F)c3)c(C(N)=O)cc2c1.
What is the InChIKey of 2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide?
The InChIKey is KBSAZIHGZPKBEQ-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-22-13-5-6-15-10(7-13)8-14(16(19)21)17(23-15)20-12-4-2-3-11(18)9-12/h2-9H,1H3,(H2,19,21)/b20-17-.
What are the key properties of 2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide?
2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)imino-6-methoxychromene-3-carboxamide is sourced from PubChem (CID 2324153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).