N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide

C18H11ClF3NO3 — CID 19119011

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide
SMILESCc1cccc2c(=O)cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)oc12
InChIInChI=1S/C18H11ClF3NO3/c1-9-3-2-4-11-14(24)8-15(26-16(9)11)17(25)23-13-7-10(18(20,21)22)5-6-12(13)19/h2-8H,1H3,(H,23,25)
InChIKeyKJTWHTXHSRHKGM-UHFFFAOYSA-N
MW381.74 g/mol
LogP5.03
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide (PubChem CID 19119011) has the molecular formula C18H11ClF3NO3 and a molecular weight of 381.74 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide
PubChem CID19119011
Molecular FormulaC18H11ClF3NO3
Molecular Weight381.74 g/mol
Exact Mass381.04
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide
SMILESCc1cccc2c(=O)cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)oc12
InChIInChI=1S/C18H11ClF3NO3/c1-9-3-2-4-11-14(24)8-15(26-16(9)11)17(25)23-13-7-10(18(20,21)22)5-6-12(13)19/h2-8H,1H3,(H,23,25)
InChIKeyKJTWHTXHSRHKGM-UHFFFAOYSA-N
XLogP5.03
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.74
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 17014479
8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide
CID 19119008
N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19119023
6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 35181492
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 4175923
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 19119114
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 112521234
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967285
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-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxoisothiochromene-3-carboxamide
CID 17015309

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide (CID 19119011) is N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide is Cc1cccc2c(=O)cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)oc12.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide?
The InChIKey is KJTWHTXHSRHKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3NO3/c1-9-3-2-4-11-14(24)8-15(26-16(9)11)17(25)23-13-7-10(18(20,21)22)5-6-12(13)19/h2-8H,1H3,(H,23,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide has a molecular weight of 381.74 g/mol, XLogP of 5.03, 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]-8-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 19119011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).