5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide

C27H28F2N2O — CID 57430092

IUPAC5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H28F2N2O/c1-19-6-9-24(29)16-26(19)27(32)30-17-22-4-2-3-5-25(22)21-12-14-31(15-13-21)18-20-7-10-23(28)11-8-20/h2-11,16,21H,12-15,17-18H2,1H3,(H,30,32)
InChIKeySSRYMWCTLIJCKE-UHFFFAOYSA-N
MW434.53 g/mol
LogP5.58
Rot. Bonds6

About 5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide

5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide (PubChem CID 57430092) has the molecular formula C27H28F2N2O and a molecular weight of 434.53 g/mol. Its IUPAC name is 5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
PubChem CID57430092
Molecular FormulaC27H28F2N2O
Molecular Weight434.53 g/mol
Exact Mass434.22
IUPAC Name5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H28F2N2O/c1-19-6-9-24(29)16-26(19)27(32)30-17-22-4-2-3-5-25(22)21-12-14-31(15-13-21)18-20-7-10-23(28)11-8-20/h2-11,16,21H,12-15,17-18H2,1H3,(H,30,32)
InChIKeySSRYMWCTLIJCKE-UHFFFAOYSA-N
XLogP5.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.53
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108853
3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108849
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylsulfanylbenzamide
CID 23108417
2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
CID 23108497
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide
CID 115598801
N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide
CID 55025566
methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate
CID 57430058
methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
CID 57499793
N-[[4-(chloromethyl)phenyl]methyl]-5-fluoro-2-methylbenzamide
CID 107233293
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 23108836
N-[(4-fluorophenyl)methyl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807882

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide (CID 57430092) is 5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide?
The InChIKey is SSRYMWCTLIJCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O/c1-19-6-9-24(29)16-26(19)27(32)30-17-22-4-2-3-5-25(22)21-12-14-31(15-13-21)18-20-7-10-23(28)11-8-20/h2-11,16,21H,12-15,17-18H2,1H3,(H,30,32).
What are the key properties of 5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide?
5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide has a molecular weight of 434.53 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 57430092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).