N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide

C17H9ClF3NO3 — CID 17014479

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H9ClF3NO3/c18-11-6-5-9(17(19,20)21)7-12(11)22-16(24)15-8-13(23)10-3-1-2-4-14(10)25-15/h1-8H,(H,22,24)
InChIKeyDVUVCKRHOVEYMQ-UHFFFAOYSA-N
MW367.71 g/mol
LogP4.72
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide (PubChem CID 17014479) has the molecular formula C17H9ClF3NO3 and a molecular weight of 367.71 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
PubChem CID17014479
Molecular FormulaC17H9ClF3NO3
Molecular Weight367.71 g/mol
Exact Mass367.02
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H9ClF3NO3/c18-11-6-5-9(17(19,20)21)7-12(11)22-16(24)15-8-13(23)10-3-1-2-4-14(10)25-15/h1-8H,(H,22,24)
InChIKeyDVUVCKRHOVEYMQ-UHFFFAOYSA-N
XLogP4.72
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.71
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 35181492
N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119011
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide
CID 4077487
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 4175923
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803042
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
CID 9097785
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 112521234
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxoisothiochromene-3-carboxamide
CID 17015309
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide
CID 47081673
4-methyl-3-[(4-oxochromene-2-carbonyl)amino]benzoic acid
CID 3400786

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide (CID 17014479) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide?
The InChIKey is DVUVCKRHOVEYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3NO3/c18-11-6-5-9(17(19,20)21)7-12(11)22-16(24)15-8-13(23)10-3-1-2-4-14(10)25-15/h1-8H,(H,22,24).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide has a molecular weight of 367.71 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 17014479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).