N-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide

C25H20ClF2N3O2 — CID 53115243

IUPACN-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H20ClF2N3O2/c26-16-7-10-20(19(28)13-16)30-25(32)22-12-11-21(33-22)24-23(15-5-8-17(27)9-6-15)29-14-31(24)18-3-1-2-4-18/h5-14,18H,1-4H2,(H,30,32)
InChIKeyQACLFFVLWCKNEA-UHFFFAOYSA-N
MW467.90 g/mol
LogP7.11
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide

N-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53115243) has the molecular formula C25H20ClF2N3O2 and a molecular weight of 467.90 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID53115243
Molecular FormulaC25H20ClF2N3O2
Molecular Weight467.90 g/mol
Exact Mass467.12
IUPAC NameN-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H20ClF2N3O2/c26-16-7-10-20(19(28)13-16)30-25(32)22-12-11-21(33-22)24-23(15-5-8-17(27)9-6-15)29-14-31(24)18-3-1-2-4-18/h5-14,18H,1-4H2,(H,30,32)
InChIKeyQACLFFVLWCKNEA-UHFFFAOYSA-N
XLogP7.11
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.90
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53115243) is N-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is QACLFFVLWCKNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2N3O2/c26-16-7-10-20(19(28)13-16)30-25(32)22-12-11-21(33-22)24-23(15-5-8-17(27)9-6-15)29-14-31(24)18-3-1-2-4-18/h5-14,18H,1-4H2,(H,30,32).
What are the key properties of N-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 467.90 g/mol, XLogP of 7.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53115243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).