6-chloro-2-phenyliminochromene-3-carboxamide

C16H11ClN2O2 — CID 748820

IUPAC6-chloro-2-phenyliminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccccc1
InChIInChI=1S/C16H11ClN2O2/c17-11-6-7-14-10(8-11)9-13(15(18)20)16(21-14)19-12-4-2-1-3-5-12/h1-9H,(H2,18,20)/b19-16-
InChIKeyUKWIYVHDTFGJDK-MNDPQUGUSA-N
MW298.73 g/mol
LogP3.42
Rot. Bonds2

About 6-chloro-2-phenyliminochromene-3-carboxamide

6-chloro-2-phenyliminochromene-3-carboxamide (PubChem CID 748820) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 6-chloro-2-phenyliminochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-phenyliminochromene-3-carboxamide
PubChem CID748820
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name6-chloro-2-phenyliminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccccc1
InChIInChI=1S/C16H11ClN2O2/c17-11-6-7-14-10(8-11)9-13(15(18)20)16(21-14)19-12-4-2-1-3-5-12/h1-9H,(H2,18,20)/b19-16-
InChIKeyUKWIYVHDTFGJDK-MNDPQUGUSA-N
XLogP3.42
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyliminochromene-3-carboxamide?
The IUPAC name of 6-chloro-2-phenyliminochromene-3-carboxamide (CID 748820) is 6-chloro-2-phenyliminochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-phenyliminochromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-phenyliminochromene-3-carboxamide is NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccccc1.
What is the InChIKey of 6-chloro-2-phenyliminochromene-3-carboxamide?
The InChIKey is UKWIYVHDTFGJDK-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-11-6-7-14-10(8-11)9-13(15(18)20)16(21-14)19-12-4-2-1-3-5-12/h1-9H,(H2,18,20)/b19-16-.
What are the key properties of 6-chloro-2-phenyliminochromene-3-carboxamide?
6-chloro-2-phenyliminochromene-3-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyliminochromene-3-carboxamide is sourced from PubChem (CID 748820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).