N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide

C20H16F3NO4 — CID 91688901

IUPACN-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCCN(C(=O)C(F)(F)F)c1cc(-c2cc3ccccc3oc2=O)ccc1OC
InChIInChI=1S/C20H16F3NO4/c1-3-24(19(26)20(21,22)23)15-11-12(8-9-17(15)27-2)14-10-13-6-4-5-7-16(13)28-18(14)25/h4-11H,3H2,1-2H3
InChIKeyUHEQNYPEVWGSTJ-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.38
Rot. Bonds4

About N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide

N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide (PubChem CID 91688901) has the molecular formula C20H16F3NO4 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide
PubChem CID91688901
Molecular FormulaC20H16F3NO4
Molecular Weight391.35 g/mol
Exact Mass391.10
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCCN(C(=O)C(F)(F)F)c1cc(-c2cc3ccccc3oc2=O)ccc1OC
InChIInChI=1S/C20H16F3NO4/c1-3-24(19(26)20(21,22)23)15-11-12(8-9-17(15)27-2)14-10-13-6-4-5-7-16(13)28-18(14)25/h4-11H,3H2,1-2H3
InChIKeyUHEQNYPEVWGSTJ-UHFFFAOYSA-N
XLogP4.38
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-methyl-N-[2-methyl-5-(2-oxochromen-3-yl)phenyl]acetamide
CID 91688893
N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide
CID 3899634
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652
3-bromo-4-ethoxy-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 2219017
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 5126605
methyl 4-methoxy-3-(2-oxochromen-3-yl)benzoate
CID 91688788
2,3,5,6-tetrafluoro-4-methoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 17315609
2-(3,4-dimethoxyphenyl)benzo[f]chromen-3-one
CID 747847
2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide
CID 5133988
N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 17102592

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide (CID 91688901) is N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide is CCN(C(=O)C(F)(F)F)c1cc(-c2cc3ccccc3oc2=O)ccc1OC.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide?
The InChIKey is UHEQNYPEVWGSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO4/c1-3-24(19(26)20(21,22)23)15-11-12(8-9-17(15)27-2)14-10-13-6-4-5-7-16(13)28-18(14)25/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide?
N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide has a molecular weight of 391.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]acetamide is sourced from PubChem (CID 91688901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).