5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide

C23H24FNO3 — CID 110279457

IUPAC5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide
SMILESCc1ccc(C)c(OCc2ccc(C(=O)NCC(C)c3ccc(F)cc3)o2)c1
InChIInChI=1S/C23H24FNO3/c1-15-4-5-16(2)22(12-15)27-14-20-10-11-21(28-20)23(26)25-13-17(3)18-6-8-19(24)9-7-18/h4-12,17H,13-14H2,1-3H3,(H,25,26)
InChIKeyHHDBHHUIEXIJQP-UHFFFAOYSA-N
MW381.45 g/mol
LogP5.15
Rot. Bonds7

About 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide

5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide (PubChem CID 110279457) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide
PubChem CID110279457
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide
SMILESCc1ccc(C)c(OCc2ccc(C(=O)NCC(C)c3ccc(F)cc3)o2)c1
InChIInChI=1S/C23H24FNO3/c1-15-4-5-16(2)22(12-15)27-14-20-10-11-21(28-20)23(26)25-13-17(3)18-6-8-19(24)9-7-18/h4-12,17H,13-14H2,1-3H3,(H,25,26)
InChIKeyHHDBHHUIEXIJQP-UHFFFAOYSA-N
XLogP5.15
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-2-hydroxypropyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 110281214
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452717
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
CID 110902991
5-[(2,5-dimethylphenoxy)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 35337267
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279886
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
CID 110279740
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19285027
N-(2,6-dichlorophenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452643
N-[(4-fluorophenyl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461206
5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19452680

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide (CID 110279457) is 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide is Cc1ccc(C)c(OCc2ccc(C(=O)NCC(C)c3ccc(F)cc3)o2)c1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide?
The InChIKey is HHDBHHUIEXIJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c1-15-4-5-16(2)22(12-15)27-14-20-10-11-21(28-20)23(26)25-13-17(3)18-6-8-19(24)9-7-18/h4-12,17H,13-14H2,1-3H3,(H,25,26).
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide?
5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide is sourced from PubChem (CID 110279457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).