2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide

C20H15ClF3NO4 — CID 24520440

IUPAC2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCC(F)(F)F
InChIInChI=1S/C20H15ClF3NO4/c1-11(19(27)25-10-20(22,23)24)28-17-9-16-14(7-15(17)21)13(8-18(26)29-16)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,25,27)
InChIKeyQOWZCCZSQAVNLY-UHFFFAOYSA-N
MW425.79 g/mol
LogP4.56
Rot. Bonds5

About 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide

2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 24520440) has the molecular formula C20H15ClF3NO4 and a molecular weight of 425.79 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID24520440
Molecular FormulaC20H15ClF3NO4
Molecular Weight425.79 g/mol
Exact Mass425.06
IUPAC Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCC(F)(F)F
InChIInChI=1S/C20H15ClF3NO4/c1-11(19(27)25-10-20(22,23)24)28-17-9-16-14(7-15(17)21)13(8-18(26)29-16)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,25,27)
InChIKeyQOWZCCZSQAVNLY-UHFFFAOYSA-N
XLogP4.56
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.79
LogP ≤ 54.56
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

2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide
CID 24520454
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide
CID 146342734
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide
CID 146306514
(2S)-N-(3-hydroxypropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7095334
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide
CID 24520446
(2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 8015794
tert-butyl 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988856
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4911631
(6-chloro-2-oxo-4-phenylchromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 2855940
(2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7632023
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
CID 4910456
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 4975664

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide (CID 24520440) is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide is CC(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QOWZCCZSQAVNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3NO4/c1-11(19(27)25-10-20(22,23)24)28-17-9-16-14(7-15(17)21)13(8-18(26)29-16)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,25,27).
What are the key properties of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide?
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 425.79 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 24520440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).