2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide

C14H11F3N2O4 — CID 56742375

IUPAC2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
SMILESO=C(NCCNC(=O)C(F)(F)F)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H11F3N2O4/c15-14(16,17)13(22)19-6-5-18-11(20)9-7-8-3-1-2-4-10(8)23-12(9)21/h1-4,7H,5-6H2,(H,18,20)(H,19,22)
InChIKeyAYVWAWJDVGTLQE-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.20
Rot. Bonds4

About 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide

2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide (PubChem CID 56742375) has the molecular formula C14H11F3N2O4 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
PubChem CID56742375
Molecular FormulaC14H11F3N2O4
Molecular Weight328.25 g/mol
Exact Mass328.07
IUPAC Name2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
SMILESO=C(NCCNC(=O)C(F)(F)F)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H11F3N2O4/c15-14(16,17)13(22)19-6-5-18-11(20)9-7-8-3-1-2-4-10(8)23-12(9)21/h1-4,7H,5-6H2,(H,18,20)(H,19,22)
InChIKeyAYVWAWJDVGTLQE-UHFFFAOYSA-N
XLogP1.20
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133
N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
CID 104593757
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide
CID 19174708
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
3-[(2-oxochromene-3-carbonyl)amino]propyl benzoate
CID 19189384
2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide
CID 110667582
N-[2-(1,1-dioxothian-4-yl)ethyl]-2-oxochromene-3-carboxamide
CID 171914896

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide (CID 56742375) is 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide is O=C(NCCNC(=O)C(F)(F)F)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide?
The InChIKey is AYVWAWJDVGTLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O4/c15-14(16,17)13(22)19-6-5-18-11(20)9-7-8-3-1-2-4-10(8)23-12(9)21/h1-4,7H,5-6H2,(H,18,20)(H,19,22).
What are the key properties of 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide?
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide is sourced from PubChem (CID 56742375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).