N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide

C24H26FN3O3 — CID 42850815

IUPACN-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
SMILESCOc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)CC1
InChIInChI=1S/C24H26FN3O3/c1-30-22-5-3-2-4-21(22)28-14-12-27(13-15-28)17-20-10-11-23(31-20)24(29)26-16-18-6-8-19(25)9-7-18/h2-11H,12-17H2,1H3,(H,26,29)
InChIKeyKJKQYIZQNGUKAZ-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.68
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide

N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide (PubChem CID 42850815) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
PubChem CID42850815
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
SMILESCOc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)CC1
InChIInChI=1S/C24H26FN3O3/c1-30-22-5-3-2-4-21(22)28-14-12-27(13-15-28)17-20-10-11-23(31-20)24(29)26-16-18-6-8-19(25)9-7-18/h2-11H,12-17H2,1H3,(H,26,29)
InChIKeyKJKQYIZQNGUKAZ-UHFFFAOYSA-N
XLogP3.68
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850808
N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42858729
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
N-benzyl-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46043476
5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 42850910
N-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133655
5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 46055568
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858798
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665248
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859714
5-[(4-fluorophenoxy)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide
CID 56517035
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46043442

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide (CID 42850815) is N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide is COc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is KJKQYIZQNGUKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-30-22-5-3-2-4-21(22)28-14-12-27(13-15-28)17-20-10-11-23(31-20)24(29)26-16-18-6-8-19(25)9-7-18/h2-11H,12-17H2,1H3,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 42850815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).