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

C19H13ClF3NO2 — CID 6096200

IUPACN-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C19H13ClF3NO2/c20-13-7-5-12(6-8-13)11-24-18(25)17-10-9-16(26-17)14-3-1-2-4-15(14)19(21,22)23/h1-10H,11H2,(H,24,25)
InChIKeyHMLCVXLIIWJPHB-UHFFFAOYSA-N
MW379.77 g/mol
LogP5.55
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 6096200) has the molecular formula C19H13ClF3NO2 and a molecular weight of 379.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID6096200
Molecular FormulaC19H13ClF3NO2
Molecular Weight379.77 g/mol
Exact Mass379.06
IUPAC NameN-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C19H13ClF3NO2/c20-13-7-5-12(6-8-13)11-24-18(25)17-10-9-16(26-17)14-3-1-2-4-15(14)19(21,22)23/h1-10H,11H2,(H,24,25)
InChIKeyHMLCVXLIIWJPHB-UHFFFAOYSA-N
XLogP5.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.77
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 6096200) is N-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is HMLCVXLIIWJPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO2/c20-13-7-5-12(6-8-13)11-24-18(25)17-10-9-16(26-17)14-3-1-2-4-15(14)19(21,22)23/h1-10H,11H2,(H,24,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 379.77 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 6096200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).