N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide

C19H12F4N2O4 — CID 91643379

IUPACN-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc2cc(F)ccc2oc1=O
InChIInChI=1S/C19H12F4N2O4/c1-9(26)24-14-4-2-11(19(21,22)23)8-15(14)25-17(27)13-7-10-6-12(20)3-5-16(10)29-18(13)28/h2-8H,1H3,(H,24,26)(H,25,27)
InChIKeyFFKMTTBVFJRUQN-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.16
Rot. Bonds3

About N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide

N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide (PubChem CID 91643379) has the molecular formula C19H12F4N2O4 and a molecular weight of 408.31 g/mol. Its IUPAC name is N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide
PubChem CID91643379
Molecular FormulaC19H12F4N2O4
Molecular Weight408.31 g/mol
Exact Mass408.07
IUPAC NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc2cc(F)ccc2oc1=O
InChIInChI=1S/C19H12F4N2O4/c1-9(26)24-14-4-2-11(19(21,22)23)8-15(14)25-17(27)13-7-10-6-12(20)3-5-16(10)29-18(13)28/h2-8H,1H3,(H,24,26)(H,25,27)
InChIKeyFFKMTTBVFJRUQN-UHFFFAOYSA-N
XLogP4.16
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-6-fluoro-2-oxochromene-3-carboxamide
CID 110486861
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
CID 31524427
N-ethyl-6-fluoro-2-oxochromene-3-carboxamide
CID 110486838
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
CID 9268804
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide
CID 110486839
6-bromo-N-(5-tert-butyl-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 2102409
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262644
N-(4-bromo-2-fluorophenyl)-6-chloro-2-oxochromene-3-carboxamide
CID 100795022
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 48524891
5-bromo-2-[(6-bromo-2-oxochromene-3-carbonyl)amino]benzoate
CID 6989800

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide (CID 91643379) is N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide is CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc2cc(F)ccc2oc1=O.
What is the InChIKey of N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide?
The InChIKey is FFKMTTBVFJRUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N2O4/c1-9(26)24-14-4-2-11(19(21,22)23)8-15(14)25-17(27)13-7-10-6-12(20)3-5-16(10)29-18(13)28/h2-8H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide?
N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide has a molecular weight of 408.31 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide is sourced from PubChem (CID 91643379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).