5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide

C25H15Cl2F3N2O3 — CID 25101474

IUPAC5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIInChI=1S/C25H15Cl2F3N2O3/c26-15-8-6-14(7-9-15)21-13-19(22(35-21)25(28,29)30)24(34)32-20-12-16(27)10-11-18(20)23(33)31-17-4-2-1-3-5-17/h1-13H,(H,31,33)(H,32,34)
InChIKeyKIJXCAAMNZVTNE-UHFFFAOYSA-N
MW519.31 g/mol
LogP7.78
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide

5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 25101474) has the molecular formula C25H15Cl2F3N2O3 and a molecular weight of 519.31 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID25101474
Molecular FormulaC25H15Cl2F3N2O3
Molecular Weight519.31 g/mol
Exact Mass518.04
IUPAC Name5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIInChI=1S/C25H15Cl2F3N2O3/c26-15-8-6-14(7-9-15)21-13-19(22(35-21)25(28,29)30)24(34)32-20-12-16(27)10-11-18(20)23(33)31-17-4-2-1-3-5-17/h1-13H,(H,31,33)(H,32,34)
InChIKeyKIJXCAAMNZVTNE-UHFFFAOYSA-N
XLogP7.78
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.31
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride
CID 87548006
N-[5-chloro-2-(methylsulfonylcarbamoyl)phenyl]-5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxamide
CID 25101475
N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
CID 54761409
N-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 16651378
3-phenyl-2-[3-[4-[[5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]phenoxy]propanoic acid
CID 11787069
5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide
CID 141114523
N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801
5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide
CID 16651382
2-(4-chlorophenyl)-N-phenylbenzamide
CID 102340259
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
1-[5-(4-methylphenyl)-2-(trifluoromethyl)furan-3-yl]ethanone
CID 83607019
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid
CID 2778104

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide (CID 25101474) is 5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide is O=C(Nc1ccccc1)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F.
What is the InChIKey of 5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is KIJXCAAMNZVTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2F3N2O3/c26-15-8-6-14(7-9-15)21-13-19(22(35-21)25(28,29)30)24(34)32-20-12-16(27)10-11-18(20)23(33)31-17-4-2-1-3-5-17/h1-13H,(H,31,33)(H,32,34).
What are the key properties of 5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide?
5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 519.31 g/mol, XLogP of 7.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 25101474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).