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

C18H10ClF3N2O4 — CID 3600386

IUPAC5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C18H10ClF3N2O4/c19-12-6-5-10(9-11(12)18(20,21)22)15-7-8-16(28-15)17(25)23-13-3-1-2-4-14(13)24(26)27/h1-9H,(H,23,25)
InChIKeyGJAQOJRIZJHKGM-UHFFFAOYSA-N
MW410.74 g/mol
LogP5.78
Rot. Bonds4

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

5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 3600386) has the molecular formula C18H10ClF3N2O4 and a molecular weight of 410.74 g/mol. Its IUPAC name is 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide
PubChem CID3600386
Molecular FormulaC18H10ClF3N2O4
Molecular Weight410.74 g/mol
Exact Mass410.03
IUPAC Name5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C18H10ClF3N2O4/c19-12-6-5-10(9-11(12)18(20,21)22)15-7-8-16(28-15)17(25)23-13-3-1-2-4-14(13)24(26)27/h1-9H,(H,23,25)
InChIKeyGJAQOJRIZJHKGM-UHFFFAOYSA-N
XLogP5.78
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.74
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3984652
5-(2-chlorophenyl)-N-(2-nitrophenyl)furan-2-carboxamide
CID 2946540
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5038151
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide
CID 1253325
N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 23819573
N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110114
5-(3-nitrophenyl)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 4034082
N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 5153944
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-nitrophenyl)propanamide
CID 7397774
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 2911609
1-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]-3-(4-methylphenyl)thiourea
CID 18871714

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide (CID 3600386) is 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1.
What is the InChIKey of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is GJAQOJRIZJHKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N2O4/c19-12-6-5-10(9-11(12)18(20,21)22)15-7-8-16(28-15)17(25)23-13-3-1-2-4-14(13)24(26)27/h1-9H,(H,23,25).
What are the key properties of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide?
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 410.74 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 3600386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).