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

C26H23ClFN3O3 — CID 53115247

IUPACN-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1Cl
InChIInChI=1S/C26H23ClFN3O3/c1-33-21-11-10-18(14-20(21)27)30-26(32)23-13-12-22(34-23)25-24(16-6-8-17(28)9-7-16)29-15-31(25)19-4-2-3-5-19/h6-15,19H,2-5H2,1H3,(H,30,32)
InChIKeyOWRPRNROGDZURV-UHFFFAOYSA-N
MW479.94 g/mol
LogP6.98
Rot. Bonds6

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

N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53115247) has the molecular formula C26H23ClFN3O3 and a molecular weight of 479.94 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID53115247
Molecular FormulaC26H23ClFN3O3
Molecular Weight479.94 g/mol
Exact Mass479.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1Cl
InChIInChI=1S/C26H23ClFN3O3/c1-33-21-11-10-18(14-20(21)27)30-26(32)23-13-12-22(34-23)25-24(16-6-8-17(28)9-7-16)29-15-31(25)19-4-2-3-5-19/h6-15,19H,2-5H2,1H3,(H,30,32)
InChIKeyOWRPRNROGDZURV-UHFFFAOYSA-N
XLogP6.98
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.94
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53115247) is N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is COc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is OWRPRNROGDZURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O3/c1-33-21-11-10-18(14-20(21)27)30-26(32)23-13-12-22(34-23)25-24(16-6-8-17(28)9-7-16)29-15-31(25)19-4-2-3-5-19/h6-15,19H,2-5H2,1H3,(H,30,32).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 479.94 g/mol, XLogP of 6.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53115247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).