2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide

C19H14F3NO4 — CID 16504652

IUPAC2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3NO4/c1-11(18(25)23-14-4-2-3-13(9-14)19(20,21)22)26-15-7-5-12-6-8-17(24)27-16(12)10-15/h2-11H,1H3,(H,23,25)
InChIKeyMYJNYKULHMSUEO-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.22
Rot. Bonds4

About 2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide

2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 16504652) has the molecular formula C19H14F3NO4 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID16504652
Molecular FormulaC19H14F3NO4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3NO4/c1-11(18(25)23-14-4-2-3-13(9-14)19(20,21)22)26-15-7-5-12-6-8-17(24)27-16(12)10-15/h2-11H,1H3,(H,23,25)
InChIKeyMYJNYKULHMSUEO-UHFFFAOYSA-N
XLogP4.22
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-oxochromen-7-yl)oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7564616
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 890062
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 7290663
(2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40804812
(2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide
CID 7290728
(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7233690
(2R)-2-(2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40745730
(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1254376
2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide
CID 171915892
N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 42888911

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide (CID 16504652) is 2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide is CC(Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MYJNYKULHMSUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4/c1-11(18(25)23-14-4-2-3-13(9-14)19(20,21)22)26-15-7-5-12-6-8-17(24)27-16(12)10-15/h2-11H,1H3,(H,23,25).
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide?
2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 377.32 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 16504652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).