N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide

C27H28F2N2O — CID 46052023

IUPACN-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESCCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H28F2N2O/c1-2-20-5-13-25(14-6-20)31(27(32)22-7-11-24(29)12-8-22)26-15-17-30(18-16-26)19-21-3-9-23(28)10-4-21/h3-14,26H,2,15-19H2,1H3
InChIKeyNXQWPAASRFTQTI-UHFFFAOYSA-N
MW434.53 g/mol
LogP5.84
Rot. Bonds6

About N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide

N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 46052023) has the molecular formula C27H28F2N2O and a molecular weight of 434.53 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
PubChem CID46052023
Molecular FormulaC27H28F2N2O
Molecular Weight434.53 g/mol
Exact Mass434.22
IUPAC NameN-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESCCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H28F2N2O/c1-2-20-5-13-25(14-6-20)31(27(32)22-7-11-24(29)12-8-22)26-15-17-30(18-16-26)19-21-3-9-23(28)10-4-21/h3-14,26H,2,15-19H2,1H3
InChIKeyNXQWPAASRFTQTI-UHFFFAOYSA-N
XLogP5.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.53
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-4-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide
CID 46054943
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
4-fluoro-N-(4-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46051946
N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 46054333
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 42858157
2-fluoro-N-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46048024
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46052058
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide
CID 46054292
4-fluoro-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46048142
N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 46054712
N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 42853216

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide (CID 46052023) is N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide is CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is NXQWPAASRFTQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O/c1-2-20-5-13-25(14-6-20)31(27(32)22-7-11-24(29)12-8-22)26-15-17-30(18-16-26)19-21-3-9-23(28)10-4-21/h3-14,26H,2,15-19H2,1H3.
What are the key properties of N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 434.53 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46052023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).