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

C18H10ClF3N2O4 — CID 5038151

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C18H10ClF3N2O4/c19-11-4-5-14(13(9-11)18(20,21)22)23-17(25)16-7-6-15(28-16)10-2-1-3-12(8-10)24(26)27/h1-9H,(H,23,25)
InChIKeyGJVAEYMQJZIWSS-UHFFFAOYSA-N
MW410.74 g/mol
LogP5.78
Rot. Bonds4

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 5038151) has the molecular formula C18H10ClF3N2O4 and a molecular weight of 410.74 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID5038151
Molecular FormulaC18H10ClF3N2O4
Molecular Weight410.74 g/mol
Exact Mass410.03
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C18H10ClF3N2O4/c19-11-4-5-14(13(9-11)18(20,21)22)23-17(25)16-7-6-15(28-16)10-2-1-3-12(8-10)24(26)27/h1-9H,(H,23,25)
InChIKeyGJVAEYMQJZIWSS-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

N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110114
N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3893261
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 2233721
5-(3-nitrophenyl)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 4034082
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3614971
5-(3-chlorophenyl)-N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 3915278
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-nitrophenyl)furan-2-carboxamide
CID 3600386
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3984652
N-[(2-fluoro-4-iodophenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 17115383

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide (CID 5038151) is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is GJVAEYMQJZIWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N2O4/c19-11-4-5-14(13(9-11)18(20,21)22)23-17(25)16-7-6-15(28-16)10-2-1-3-12(8-10)24(26)27/h1-9H,(H,23,25).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-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 N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 5038151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).