N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide

C26H26F2N2O2 — CID 46047973

IUPACN-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C26H26F2N2O2/c1-32-24-12-6-19(7-13-24)26(31)30(22-10-8-21(27)9-11-22)23-14-16-29(17-15-23)18-20-4-2-3-5-25(20)28/h2-13,23H,14-18H2,1H3
InChIKeyFNNRBDYRQRCEJQ-UHFFFAOYSA-N
MW436.50 g/mol
LogP5.28
Rot. Bonds6

About N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide

N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide (PubChem CID 46047973) has the molecular formula C26H26F2N2O2 and a molecular weight of 436.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
PubChem CID46047973
Molecular FormulaC26H26F2N2O2
Molecular Weight436.50 g/mol
Exact Mass436.20
IUPAC NameN-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C26H26F2N2O2/c1-32-24-12-6-19(7-13-24)26(31)30(22-10-8-21(27)9-11-22)23-14-16-29(17-15-23)18-20-4-2-3-5-25(20)28/h2-13,23H,14-18H2,1H3
InChIKeyFNNRBDYRQRCEJQ-UHFFFAOYSA-N
XLogP5.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-(4-fluorophenyl)-4-methoxy-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 42858501
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
CID 46054270
N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 46054333
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 42858229
4-methoxy-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46158972
N-(4-fluorophenyl)-2-methoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46048053
2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055071
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46055052
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylbenzamide
CID 46054532
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide?
The IUPAC name of N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide (CID 46047973) is N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccccc3F)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide?
The InChIKey is FNNRBDYRQRCEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O2/c1-32-24-12-6-19(7-13-24)26(31)30(22-10-8-21(27)9-11-22)23-14-16-29(17-15-23)18-20-4-2-3-5-25(20)28/h2-13,23H,14-18H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide?
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide has a molecular weight of 436.50 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 46047973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).