2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide

C26H25ClF2N2O — CID 23108497

IUPAC2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C26H25ClF2N2O/c27-23-6-3-7-24(29)25(23)26(32)30-16-20-4-1-2-5-22(20)19-12-14-31(15-13-19)17-18-8-10-21(28)11-9-18/h1-11,19H,12-17H2,(H,30,32)
InChIKeyAIFPGKZQKXYSST-UHFFFAOYSA-N
MW454.95 g/mol
LogP5.93
Rot. Bonds6

About 2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide

2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide (PubChem CID 23108497) has the molecular formula C26H25ClF2N2O and a molecular weight of 454.95 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
PubChem CID23108497
Molecular FormulaC26H25ClF2N2O
Molecular Weight454.95 g/mol
Exact Mass454.16
IUPAC Name2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C26H25ClF2N2O/c27-23-6-3-7-24(29)25(23)26(32)30-16-20-4-1-2-5-22(20)19-12-14-31(15-13-19)17-18-8-10-21(28)11-9-18/h1-11,19H,12-17H2,(H,30,32)
InChIKeyAIFPGKZQKXYSST-UHFFFAOYSA-N
XLogP5.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.95
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-methylbenzamide
CID 23108853
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylsulfanylbenzamide
CID 23108417
5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 57430092
N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 23108836
2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 51232553
2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55979355
methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate
CID 57430058
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46157742
methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
CID 57499793

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide (CID 23108497) is 2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide is O=C(NCc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide?
The InChIKey is AIFPGKZQKXYSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF2N2O/c27-23-6-3-7-24(29)25(23)26(32)30-16-20-4-1-2-5-22(20)19-12-14-31(15-13-19)17-18-8-10-21(28)11-9-18/h1-11,19H,12-17H2,(H,30,32).
What are the key properties of 2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide?
2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide has a molecular weight of 454.95 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 23108497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).