N-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

C19H13F3N2O3 — CID 2054487

IUPACN-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESCC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N2O3/c1-11(25)23-17(26)15-9-12-5-2-3-8-16(12)27-18(15)24-14-7-4-6-13(10-14)19(20,21)22/h2-10H,1H3,(H,23,25,26)/b24-18-
InChIKeyNAZPNGFCAQOCNB-MOHJPFBDSA-N
MW374.32 g/mol
LogP3.96
Rot. Bonds2

About N-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

N-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (PubChem CID 2054487) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is N-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
PubChem CID2054487
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC NameN-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESCC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N2O3/c1-11(25)23-17(26)15-9-12-5-2-3-8-16(12)27-18(15)24-14-7-4-6-13(10-14)19(20,21)22/h2-10H,1H3,(H,23,25,26)/b24-18-
InChIKeyNAZPNGFCAQOCNB-MOHJPFBDSA-N
XLogP3.96
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The IUPAC name of N-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (CID 2054487) is N-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.
What is the SMILES notation for N-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The canonical SMILES for N-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The InChIKey is NAZPNGFCAQOCNB-MOHJPFBDSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c1-11(25)23-17(26)15-9-12-5-2-3-8-16(12)27-18(15)24-14-7-4-6-13(10-14)19(20,21)22/h2-10H,1H3,(H,23,25,26)/b24-18-.
What are the key properties of N-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
N-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide has a molecular weight of 374.32 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is sourced from PubChem (CID 2054487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).