N-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C18H10Cl2F3NO2 — CID 3376978

IUPACN-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C18H10Cl2F3NO2/c19-12-6-5-10(9-11(12)18(21,22)23)15-7-8-16(26-15)17(25)24-14-4-2-1-3-13(14)20/h1-9H,(H,24,25)
InChIKeyFMRDJQNHVCDXSZ-UHFFFAOYSA-N
MW400.18 g/mol
LogP6.52
Rot. Bonds3

About N-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 3376978) has the molecular formula C18H10Cl2F3NO2 and a molecular weight of 400.18 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID3376978
Molecular FormulaC18H10Cl2F3NO2
Molecular Weight400.18 g/mol
Exact Mass399.00
IUPAC NameN-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C18H10Cl2F3NO2/c19-12-6-5-10(9-11(12)18(21,22)23)15-7-8-16(26-15)17(25)24-14-4-2-1-3-13(14)20/h1-9H,(H,24,25)
InChIKeyFMRDJQNHVCDXSZ-UHFFFAOYSA-N
XLogP6.52
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.18
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 3376978) is N-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1.
What is the InChIKey of N-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is FMRDJQNHVCDXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F3NO2/c19-12-6-5-10(9-11(12)18(21,22)23)15-7-8-16(26-15)17(25)24-14-4-2-1-3-13(14)20/h1-9H,(H,24,25).
What are the key properties of N-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 400.18 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 3376978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).