2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide

C27H27FN2O3 — CID 24551331

IUPAC2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C27H27FN2O3/c28-23-14-10-21(11-15-23)19-33-25-7-3-2-6-24(25)26(31)29-18-20-8-12-22(13-9-20)27(32)30-16-4-1-5-17-30/h2-3,6-15H,1,4-5,16-19H2,(H,29,31)
InChIKeyUSMFKKKADNXUDY-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.96
Rot. Bonds7

About 2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide

2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 24551331) has the molecular formula C27H27FN2O3 and a molecular weight of 446.52 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID24551331
Molecular FormulaC27H27FN2O3
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C27H27FN2O3/c28-23-14-10-21(11-15-23)19-33-25-7-3-2-6-24(25)26(31)29-18-20-8-12-22(13-9-20)27(32)30-16-4-1-5-17-30/h2-3,6-15H,1,4-5,16-19H2,(H,29,31)
InChIKeyUSMFKKKADNXUDY-UHFFFAOYSA-N
XLogP4.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 155947041
2-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543175
1-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]-1,4-diazepan-1-yl]ethanone
CID 134039062
[2-[(4-fluorophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione
CID 838528
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
N-benzyl-2-[(4-carbamoylphenyl)methoxy]benzamide
CID 17465507
2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide
CID 18153747
methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153897
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide (CID 24551331) is 2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is USMFKKKADNXUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O3/c28-23-14-10-21(11-15-23)19-33-25-7-3-2-6-24(25)26(31)29-18-20-8-12-22(13-9-20)27(32)30-16-4-1-5-17-30/h2-3,6-15H,1,4-5,16-19H2,(H,29,31).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 446.52 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 24551331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).