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

C19H16N2O4 — CID 4987314

IUPAC2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide
SMILESCOc1ccc2o/c(=N\c3cccc(C(C)=O)c3)c(C(N)=O)cc2c1
InChIInChI=1S/C19H16N2O4/c1-11(22)12-4-3-5-14(8-12)21-19-16(18(20)23)10-13-9-15(24-2)6-7-17(13)25-19/h3-10H,1-2H3,(H2,20,23)/b21-19-
InChIKeyUJZKEGKHCMMEEU-VZCXRCSSSA-N
MW336.35 g/mol
LogP2.98
Rot. Bonds4

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

2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide (PubChem CID 4987314) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide
PubChem CID4987314
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide
SMILESCOc1ccc2o/c(=N\c3cccc(C(C)=O)c3)c(C(N)=O)cc2c1
InChIInChI=1S/C19H16N2O4/c1-11(22)12-4-3-5-14(8-12)21-19-16(18(20)23)10-13-9-15(24-2)6-7-17(13)25-19/h3-10H,1-2H3,(H2,20,23)/b21-19-
InChIKeyUJZKEGKHCMMEEU-VZCXRCSSSA-N
XLogP2.98
TPSA94.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide?
The IUPAC name of 2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide (CID 4987314) is 2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide.
What is the SMILES notation for 2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide?
The canonical SMILES for 2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide is COc1ccc2o/c(=N\c3cccc(C(C)=O)c3)c(C(N)=O)cc2c1.
What is the InChIKey of 2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide?
The InChIKey is UJZKEGKHCMMEEU-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11(22)12-4-3-5-14(8-12)21-19-16(18(20)23)10-13-9-15(24-2)6-7-17(13)25-19/h3-10H,1-2H3,(H2,20,23)/b21-19-.
What are the key properties of 2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide?
2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide is sourced from PubChem (CID 4987314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).