N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

C23H18F3N5O4 — CID 112822144

IUPACN-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)c2C)cc1
InChIInChI=1S/C23H18F3N5O4/c1-13-20(29-30-31(13)15-6-8-16(34-2)9-7-15)22(33)28-18-10-5-14(12-17(18)23(24,25)26)27-21(32)19-4-3-11-35-19/h3-12H,1-2H3,(H,27,32)(H,28,33)
InChIKeyVRDGKEVXICQETL-UHFFFAOYSA-N
MW485.42 g/mol
LogP4.70
Rot. Bonds6

About N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 112822144) has the molecular formula C23H18F3N5O4 and a molecular weight of 485.42 g/mol. Its IUPAC name is N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID112822144
Molecular FormulaC23H18F3N5O4
Molecular Weight485.42 g/mol
Exact Mass485.13
IUPAC NameN-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)c2C)cc1
InChIInChI=1S/C23H18F3N5O4/c1-13-20(29-30-31(13)15-6-8-16(34-2)9-7-15)22(33)28-18-10-5-14(12-17(18)23(24,25)26)27-21(32)19-4-3-11-35-19/h3-12H,1-2H3,(H,27,32)(H,28,33)
InChIKeyVRDGKEVXICQETL-UHFFFAOYSA-N
XLogP4.70
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55933626
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55871867
N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane
CID 169248286
N-[4-[[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43038197
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55501032
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43053981
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
N-[4-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43041357
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55573943
N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698388
N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide
CID 59296731

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 112822144) is N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is COc1ccc(-n2nnc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)c2C)cc1.
What is the InChIKey of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is VRDGKEVXICQETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O4/c1-13-20(29-30-31(13)15-6-8-16(34-2)9-7-15)22(33)28-18-10-5-14(12-17(18)23(24,25)26)27-21(32)19-4-3-11-35-19/h3-12H,1-2H3,(H,27,32)(H,28,33).
What are the key properties of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 485.42 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 112822144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).