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

C17H10ClF3N2O2 — CID 4119704

IUPAC6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10ClF3N2O2/c18-11-4-5-14-9(6-11)7-13(15(22)24)16(25-14)23-12-3-1-2-10(8-12)17(19,20)21/h1-8H,(H2,22,24)/b23-16-
InChIKeySPAOMHHTUFRJOR-KQWNVCNZSA-N
MW366.73 g/mol
LogP4.44
Rot. Bonds2

About 6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (PubChem CID 4119704) has the molecular formula C17H10ClF3N2O2 and a molecular weight of 366.73 g/mol. Its IUPAC name is 6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
PubChem CID4119704
Molecular FormulaC17H10ClF3N2O2
Molecular Weight366.73 g/mol
Exact Mass366.04
IUPAC Name6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10ClF3N2O2/c18-11-4-5-14-9(6-11)7-13(15(22)24)16(25-14)23-12-3-1-2-10(8-12)17(19,20)21/h1-8H,(H2,22,24)/b23-16-
InChIKeySPAOMHHTUFRJOR-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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The IUPAC name of 6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (CID 4119704) is 6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The InChIKey is SPAOMHHTUFRJOR-KQWNVCNZSA-N. The full InChI is InChI=1S/C17H10ClF3N2O2/c18-11-4-5-14-9(6-11)7-13(15(22)24)16(25-14)23-12-3-1-2-10(8-12)17(19,20)21/h1-8H,(H2,22,24)/b23-16-.
What are the key properties of 6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
6-chloro-2-[3-(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 6-chloro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is sourced from PubChem (CID 4119704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).