5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide

C20H16BrF2NO2 — CID 118685253

IUPAC5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(-c3ccc(Br)cc3)oc2C(F)F)c1
InChIInChI=1S/C20H16BrF2NO2/c1-11-7-12(2)9-15(8-11)24-20(25)16-10-17(26-18(16)19(22)23)13-3-5-14(21)6-4-13/h3-10,19H,1-2H3,(H,24,25)
InChIKeyYENKIYADGLSIAE-UHFFFAOYSA-N
MW420.25 g/mol
LogP6.52
Rot. Bonds4

About 5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide

5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide (PubChem CID 118685253) has the molecular formula C20H16BrF2NO2 and a molecular weight of 420.25 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide
PubChem CID118685253
Molecular FormulaC20H16BrF2NO2
Molecular Weight420.25 g/mol
Exact Mass419.03
IUPAC Name5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(-c3ccc(Br)cc3)oc2C(F)F)c1
InChIInChI=1S/C20H16BrF2NO2/c1-11-7-12(2)9-15(8-11)24-20(25)16-10-17(26-18(16)19(22)23)13-3-5-14(21)6-4-13/h3-10,19H,1-2H3,(H,24,25)
InChIKeyYENKIYADGLSIAE-UHFFFAOYSA-N
XLogP6.52
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.25
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide (CID 118685253) is 5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(Br)cc3)oc2C(F)F)c1.
What is the InChIKey of 5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide?
The InChIKey is YENKIYADGLSIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrF2NO2/c1-11-7-12(2)9-15(8-11)24-20(25)16-10-17(26-18(16)19(22)23)13-3-5-14(21)6-4-13/h3-10,19H,1-2H3,(H,24,25).
What are the key properties of 5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide?
5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide has a molecular weight of 420.25 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-(difluoromethyl)-N-(3,5-dimethylphenyl)furan-3-carboxamide is sourced from PubChem (CID 118685253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).