N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide

C18H13F3N2O3 — CID 51253530

IUPACN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide
SMILESO=C(CNC(=O)C1=Cc2ccccc2OC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H13F3N2O3/c19-12-5-6-13(17(21)16(12)20)23-15(24)8-22-18(25)11-7-10-3-1-2-4-14(10)26-9-11/h1-7H,8-9H2,(H,22,25)(H,23,24)
InChIKeyFPOHJZJLNLHPPA-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.63
Rot. Bonds4

About N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide (PubChem CID 51253530) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide
PubChem CID51253530
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide
SMILESO=C(CNC(=O)C1=Cc2ccccc2OC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H13F3N2O3/c19-12-5-6-13(17(21)16(12)20)23-15(24)8-22-18(25)11-7-10-3-1-2-4-14(10)26-9-11/h1-7H,8-9H2,(H,22,25)(H,23,24)
InChIKeyFPOHJZJLNLHPPA-UHFFFAOYSA-N
XLogP2.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742118
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
benzyl 2-(2H-chromene-3-carbonylamino)acetate
CID 26646466
2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 55533610
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
CID 55648350
methyl 2-(2H-chromene-3-carbonylamino)benzoate
CID 7464984
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 60647160
2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 18168717
[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741779
2-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111950241

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide (CID 51253530) is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide is O=C(CNC(=O)C1=Cc2ccccc2OC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide?
The InChIKey is FPOHJZJLNLHPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c19-12-5-6-13(17(21)16(12)20)23-15(24)8-22-18(25)11-7-10-3-1-2-4-14(10)26-9-11/h1-7H,8-9H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide?
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 51253530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).