N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide

C19H11Cl3F3NO2 — CID 18809202

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)c(Cl)c2)cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H11Cl3F3NO2/c1-9-12(8-17(28-9)10-2-4-15(21)16(22)6-10)18(27)26-11-3-5-14(20)13(7-11)19(23,24)25/h2-8H,1H3,(H,26,27)
InChIKeyLITYFGPDJJKOJZ-UHFFFAOYSA-N
MW448.66 g/mol
LogP7.49
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide (PubChem CID 18809202) has the molecular formula C19H11Cl3F3NO2 and a molecular weight of 448.66 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide
PubChem CID18809202
Molecular FormulaC19H11Cl3F3NO2
Molecular Weight448.66 g/mol
Exact Mass446.98
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)c(Cl)c2)cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H11Cl3F3NO2/c1-9-12(8-17(28-9)10-2-4-15(21)16(22)6-10)18(27)26-11-3-5-14(20)13(7-11)19(23,24)25/h2-8H,1H3,(H,26,27)
InChIKeyLITYFGPDJJKOJZ-UHFFFAOYSA-N
XLogP7.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.66
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 2958681
N-(2,4-dichlorophenyl)-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18809187
N-(2-cyanophenyl)-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18809184
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110863765
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 17168215
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
N-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 16651378
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 2546301
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691808
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8896388
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
2-methyl-5-phenyl-N-[2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 16650690

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide (CID 18809202) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide is Cc1oc(-c2ccc(Cl)c(Cl)c2)cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is LITYFGPDJJKOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3F3NO2/c1-9-12(8-17(28-9)10-2-4-15(21)16(22)6-10)18(27)26-11-3-5-14(20)13(7-11)19(23,24)25/h2-8H,1H3,(H,26,27).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide has a molecular weight of 448.66 g/mol, XLogP of 7.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 18809202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).