N-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide

C19H14F3NO3 — CID 24778290

IUPACN-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)c1
InChIInChI=1S/C19H14F3NO3/c1-12-3-2-4-14(11-12)23-18(24)17-10-9-16(25-17)13-5-7-15(8-6-13)26-19(20,21)22/h2-11H,1H3,(H,23,24)
InChIKeyCNFVTGOGEPWRJO-UHFFFAOYSA-N
MW361.32 g/mol
LogP5.41
Rot. Bonds4

About N-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide

N-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide (PubChem CID 24778290) has the molecular formula C19H14F3NO3 and a molecular weight of 361.32 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
PubChem CID24778290
Molecular FormulaC19H14F3NO3
Molecular Weight361.32 g/mol
Exact Mass361.09
IUPAC NameN-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)c1
InChIInChI=1S/C19H14F3NO3/c1-12-3-2-4-14(11-12)23-18(24)17-10-9-16(25-17)13-5-7-15(8-6-13)26-19(20,21)22/h2-11H,1H3,(H,23,24)
InChIKeyCNFVTGOGEPWRJO-UHFFFAOYSA-N
XLogP5.41
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.32
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide (CID 24778290) is N-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide is Cc1cccc(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The InChIKey is CNFVTGOGEPWRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3/c1-12-3-2-4-14(11-12)23-18(24)17-10-9-16(25-17)13-5-7-15(8-6-13)26-19(20,21)22/h2-11H,1H3,(H,23,24).
What are the key properties of N-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
N-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 24778290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).