2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide

C23H13Cl2F3N2O2S — CID 28985135

IUPAC2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccsc1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C23H13Cl2F3N2O2S/c24-17-7-5-13(11-18(17)25)20-8-6-14(32-20)12-29-22-15(9-10-33-22)21(31)30-19-4-2-1-3-16(19)23(26,27)28/h1-12H,(H,30,31)
InChIKeyORGPGKKZQAAVNO-UHFFFAOYSA-N
MW509.34 g/mol
LogP8.34
Rot. Bonds5

About 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide

2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide (PubChem CID 28985135) has the molecular formula C23H13Cl2F3N2O2S and a molecular weight of 509.34 g/mol. Its IUPAC name is 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
PubChem CID28985135
Molecular FormulaC23H13Cl2F3N2O2S
Molecular Weight509.34 g/mol
Exact Mass508.00
IUPAC Name2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccsc1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C23H13Cl2F3N2O2S/c24-17-7-5-13(11-18(17)25)20-8-6-14(32-20)12-29-22-15(9-10-33-22)21(31)30-19-4-2-1-3-16(19)23(26,27)28/h1-12H,(H,30,31)
InChIKeyORGPGKKZQAAVNO-UHFFFAOYSA-N
XLogP8.34
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.34
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 18863733
N-[(Z)-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 9074232
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide
CID 40646819
(NZ)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5343283
2-methyl-5-phenyl-N-[2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 16650690
N'-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 94837533
2-chloro-4-[5-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3269130
4-[5-[[(6R)-6-tert-butyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]furan-2-yl]-2-chlorobenzoic acid
CID 126093991
2-(3,4-dichlorophenyl)aniline;N-[2-(3,4-dichlorophenyl)phenyl]-2-iodothiophene-3-carboxamide;2-iodothiophene-3-carbonyl chloride
CID 159523658
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide
CID 3600386
(E)-3-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
CID 67169287
5-(3,4-dichlorophenyl)-N-(2-propan-2-ylphenyl)furan-2-carboxamide
CID 23880214

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide (CID 28985135) is 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ccsc1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is ORGPGKKZQAAVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2F3N2O2S/c24-17-7-5-13(11-18(17)25)20-8-6-14(32-20)12-29-22-15(9-10-33-22)21(31)30-19-4-2-1-3-16(19)23(26,27)28/h1-12H,(H,30,31).
What are the key properties of 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 509.34 g/mol, XLogP of 8.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 28985135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).