(2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide

C18H12F3NO4 — CID 7290728

IUPAC(2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H12F3NO4/c1-9(18(24)22-13-6-5-12(19)16(20)17(13)21)25-11-4-2-10-3-7-15(23)26-14(10)8-11/h2-9H,1H3,(H,22,24)/t9-/m0/s1
InChIKeyPQLBSDODCBBRDW-VIFPVBQESA-N
MW363.29 g/mol
LogP3.62
Rot. Bonds4

About (2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide

(2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 7290728) has the molecular formula C18H12F3NO4 and a molecular weight of 363.29 g/mol. Its IUPAC name is (2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID7290728
Molecular FormulaC18H12F3NO4
Molecular Weight363.29 g/mol
Exact Mass363.07
IUPAC Name(2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H12F3NO4/c1-9(18(24)22-13-6-5-12(19)16(20)17(13)21)25-11-4-2-10-3-7-15(23)26-14(10)8-11/h2-9H,1H3,(H,22,24)/t9-/m0/s1
InChIKeyPQLBSDODCBBRDW-VIFPVBQESA-N
XLogP3.62
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 42888911
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 7290663
(2R)-2-(2-oxochromen-7-yl)oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7564616
(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7233690
methyl 4-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]oxybenzoate
CID 7965434
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564685
2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16504652
(2R)-2-(4-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7503342
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 2407615
(2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7717807
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 46519596

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide (CID 7290728) is (2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide is C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is PQLBSDODCBBRDW-VIFPVBQESA-N. The full InChI is InChI=1S/C18H12F3NO4/c1-9(18(24)22-13-6-5-12(19)16(20)17(13)21)25-11-4-2-10-3-7-15(23)26-14(10)8-11/h2-9H,1H3,(H,22,24)/t9-/m0/s1.
What are the key properties of (2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide?
(2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 363.29 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 7290728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).