N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide

C24H24FN3O3 — CID 46055934

IUPACN-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1cccc(CN2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C24H24FN3O3/c25-21-7-2-4-18(15-21)16-26-23(29)20-6-1-5-19(14-20)17-27-9-11-28(12-10-27)24(30)22-8-3-13-31-22/h1-8,13-15H,9-12,16-17H2,(H,26,29)
InChIKeyJLWOUWJEQFXYSO-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.31
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide

N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide (PubChem CID 46055934) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide
PubChem CID46055934
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1cccc(CN2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C24H24FN3O3/c25-21-7-2-4-18(15-21)16-26-23(29)20-6-1-5-19(14-20)17-27-9-11-28(12-10-27)24(30)22-8-3-13-31-22/h1-8,13-15H,9-12,16-17H2,(H,26,29)
InChIKeyJLWOUWJEQFXYSO-UHFFFAOYSA-N
XLogP3.31
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46055929
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37399827
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 649966
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 43921245
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 19291224
3-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122028616
3-fluoro-N-[[7-[[3-(furan-2-yl)phenyl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]benzamide
CID 126462587
2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
CID 54583242
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858807

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide (CID 46055934) is N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide is O=C(NCc1cccc(F)c1)c1cccc(CN2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is JLWOUWJEQFXYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-21-7-2-4-18(15-21)16-26-23(29)20-6-1-5-19(14-20)17-27-9-11-28(12-10-27)24(30)22-8-3-13-31-22/h1-8,13-15H,9-12,16-17H2,(H,26,29).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide?
N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 421.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 46055934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).