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

C19H13ClF3NO2 — CID 3516344

IUPAC5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1
InChIInChI=1S/C19H13ClF3NO2/c1-11-3-2-4-13(9-11)24-18(25)17-8-7-16(26-17)14-10-12(19(21,22)23)5-6-15(14)20/h2-10H,1H3,(H,24,25)
InChIKeyGCUNSXMZKPKJRL-UHFFFAOYSA-N
MW379.77 g/mol
LogP6.18
Rot. Bonds3

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

5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide (PubChem CID 3516344) has the molecular formula C19H13ClF3NO2 and a molecular weight of 379.77 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide
PubChem CID3516344
Molecular FormulaC19H13ClF3NO2
Molecular Weight379.77 g/mol
Exact Mass379.06
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1
InChIInChI=1S/C19H13ClF3NO2/c1-11-3-2-4-13(9-11)24-18(25)17-8-7-16(26-17)14-10-12(19(21,22)23)5-6-15(14)20/h2-10H,1H3,(H,24,25)
InChIKeyGCUNSXMZKPKJRL-UHFFFAOYSA-N
XLogP6.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.77
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3643749
N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 39890738
N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 2892817
N-(3-benzamidophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 1007757
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide
CID 6491179
5-(2-chlorophenyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 9072315
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-(1H-indazol-6-yl)phenyl]furan-2-carboxamide
CID 141265502
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 21170409
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4832965
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18180318
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide (CID 3516344) is 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide is Cc1cccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide?
The InChIKey is GCUNSXMZKPKJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO2/c1-11-3-2-4-13(9-11)24-18(25)17-8-7-16(26-17)14-10-12(19(21,22)23)5-6-15(14)20/h2-10H,1H3,(H,24,25).
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide?
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide has a molecular weight of 379.77 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3516344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).