N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide

C19H15F3N2O3 — CID 31524427

IUPACN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H15F3N2O3/c1-24(2)15-8-7-12(19(20,21)22)10-14(15)23-17(25)13-9-11-5-3-4-6-16(11)27-18(13)26/h3-10H,1-2H3,(H,23,25)
InChIKeyUKYREVGSOZZHBR-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.13
Rot. Bonds3

About N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 31524427) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID31524427
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H15F3N2O3/c1-24(2)15-8-7-12(19(20,21)22)10-14(15)23-17(25)13-9-11-5-3-4-6-16(11)27-18(13)26/h3-10H,1-2H3,(H,23,25)
InChIKeyUKYREVGSOZZHBR-UHFFFAOYSA-N
XLogP4.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.13
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

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
CID 9268804
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8911906
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 78778889
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 16959400
N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide
CID 91643379
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 86835457
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide
CID 2109013

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide (CID 31524427) is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is UKYREVGSOZZHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-24(2)15-8-7-12(19(20,21)22)10-14(15)23-17(25)13-9-11-5-3-4-6-16(11)27-18(13)26/h3-10H,1-2H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide?
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 376.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 31524427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).