2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

C17H10ClF3N2O2 — CID 997873

IUPAC2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N\c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H10ClF3N2O2/c18-12-6-5-10(17(19,20)21)8-13(12)23-16-11(15(22)24)7-9-3-1-2-4-14(9)25-16/h1-8H,(H2,22,24)/b23-16-
InChIKeyPALZFKLEBJYOBG-KQWNVCNZSA-N
MW366.73 g/mol
LogP4.44
Rot. Bonds2

About 2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (PubChem CID 997873) has the molecular formula C17H10ClF3N2O2 and a molecular weight of 366.73 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
PubChem CID997873
Molecular FormulaC17H10ClF3N2O2
Molecular Weight366.73 g/mol
Exact Mass366.04
IUPAC Name2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N\c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H10ClF3N2O2/c18-12-6-5-10(17(19,20)21)8-13(12)23-16-11(15(22)24)7-9-3-1-2-4-14(9)25-16/h1-8H,(H2,22,24)/b23-16-
InChIKeyPALZFKLEBJYOBG-KQWNVCNZSA-N
XLogP4.44
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (CID 997873) is 2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is NC(=O)c1cc2ccccc2o/c1=N\c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The InChIKey is PALZFKLEBJYOBG-KQWNVCNZSA-N. The full InChI is InChI=1S/C17H10ClF3N2O2/c18-12-6-5-10(17(19,20)21)8-13(12)23-16-11(15(22)24)7-9-3-1-2-4-14(9)25-16/h1-8H,(H2,22,24)/b23-16-.
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide has a molecular weight of 366.73 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is sourced from PubChem (CID 997873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).