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

C19H15FN2O4 — CID 3887632

IUPACN-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide
SMILESCOc1ccc2o/c(=N\c3ccccc3F)c(C(=O)NC(C)=O)cc2c1
InChIInChI=1S/C19H15FN2O4/c1-11(23)21-18(24)14-10-12-9-13(25-2)7-8-17(12)26-19(14)22-16-6-4-3-5-15(16)20/h3-10H,1-2H3,(H,21,23,24)/b22-19-
InChIKeyVOASYDXPUVXHKF-QOCHGBHMSA-N
MW354.34 g/mol
LogP3.09
Rot. Bonds3

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

N-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide (PubChem CID 3887632) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is N-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide
PubChem CID3887632
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC NameN-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide
SMILESCOc1ccc2o/c(=N\c3ccccc3F)c(C(=O)NC(C)=O)cc2c1
InChIInChI=1S/C19H15FN2O4/c1-11(23)21-18(24)14-10-12-9-13(25-2)7-8-17(12)26-19(14)22-16-6-4-3-5-15(16)20/h3-10H,1-2H3,(H,21,23,24)/b22-19-
InChIKeyVOASYDXPUVXHKF-QOCHGBHMSA-N
XLogP3.09
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide?
The IUPAC name of N-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide (CID 3887632) is N-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide.
What is the SMILES notation for N-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide?
The canonical SMILES for N-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide is COc1ccc2o/c(=N\c3ccccc3F)c(C(=O)NC(C)=O)cc2c1.
What is the InChIKey of N-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide?
The InChIKey is VOASYDXPUVXHKF-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-11(23)21-18(24)14-10-12-9-13(25-2)7-8-17(12)26-19(14)22-16-6-4-3-5-15(16)20/h3-10H,1-2H3,(H,21,23,24)/b22-19-.
What are the key properties of N-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide?
N-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(2-fluorophenyl)imino-6-methoxychromene-3-carboxamide is sourced from PubChem (CID 3887632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).