[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate

C19H12Cl2F3NO4 — CID 55443891

IUPAC[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2cc(Cl)ccc2OC1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C19H12Cl2F3NO4/c20-12-4-5-15-10(7-12)6-11(8-28-15)18(27)29-9-16(26)25-17-13(19(22,23)24)2-1-3-14(17)21/h1-7H,8-9H2,(H,25,26)
InChIKeyDFZHNWOHWBSJSM-UHFFFAOYSA-N
MW446.21 g/mol
LogP4.97
Rot. Bonds4

About [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate

[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate (PubChem CID 55443891) has the molecular formula C19H12Cl2F3NO4 and a molecular weight of 446.21 g/mol. Its IUPAC name is [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
PubChem CID55443891
Molecular FormulaC19H12Cl2F3NO4
Molecular Weight446.21 g/mol
Exact Mass445.01
IUPAC Name[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2cc(Cl)ccc2OC1)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C19H12Cl2F3NO4/c20-12-4-5-15-10(7-12)6-11(8-28-15)18(27)29-9-16(26)25-17-13(19(22,23)24)2-1-3-14(17)21/h1-7H,8-9H2,(H,25,26)
InChIKeyDFZHNWOHWBSJSM-UHFFFAOYSA-N
XLogP4.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.21
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 6-chloro-2H-chromene-3-carboxylate
CID 46641408
[2-(3,5-dichloroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741886
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7698551
[2-oxo-2-(pentan-2-ylamino)ethyl] 6-chloro-2H-chromene-3-carboxylate
CID 18099486
[2-(3,4-difluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741788
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 18293054
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7668586
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742242
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 46641415
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859022
[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742118
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 24686344

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate?
The IUPAC name of [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate (CID 55443891) is [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate.
What is the SMILES notation for [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate?
The canonical SMILES for [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate is O=C(COC(=O)C1=Cc2cc(Cl)ccc2OC1)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate?
The InChIKey is DFZHNWOHWBSJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3NO4/c20-12-4-5-15-10(7-12)6-11(8-28-15)18(27)29-9-16(26)25-17-13(19(22,23)24)2-1-3-14(17)21/h1-7H,8-9H2,(H,25,26).
What are the key properties of [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate?
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate has a molecular weight of 446.21 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate is sourced from PubChem (CID 55443891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).