2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide

C23H28ClFN2O4 — CID 42298282

IUPAC2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C23H28ClFN2O4/c1-29-12-9-26-23(28)20-6-5-19(30-2)14-22(20)31-18-7-10-27(11-8-18)15-16-3-4-17(25)13-21(16)24/h3-6,13-14,18H,7-12,15H2,1-2H3,(H,26,28)
InChIKeySGWSYDXQVSAJPE-UHFFFAOYSA-N
MW450.94 g/mol
LogP3.91
Rot. Bonds9

About 2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide

2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 42298282) has the molecular formula C23H28ClFN2O4 and a molecular weight of 450.94 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID42298282
Molecular FormulaC23H28ClFN2O4
Molecular Weight450.94 g/mol
Exact Mass450.17
IUPAC Name2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C23H28ClFN2O4/c1-29-12-9-26-23(28)20-6-5-19(30-2)14-22(20)31-18-7-10-27(11-8-18)15-16-3-4-17(25)13-21(16)24/h3-6,13-14,18H,7-12,15H2,1-2H3,(H,26,28)
InChIKeySGWSYDXQVSAJPE-UHFFFAOYSA-N
XLogP3.91
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.94
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42190947
2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 26406468
4-methoxy-N-(2-methoxyethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72866282
4-methoxy-N-(2-methoxyethyl)-2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide
CID 26404278
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 25457226
2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 25384356
4-methoxy-N-(2-methoxyethyl)-2-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25458681
4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide
CID 25458744
4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 26316423
2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42403030
4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-5-methylhex-5-en-2-yl]piperidin-4-yl]oxybenzamide
CID 25369057
4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]oxy-3-chloro-N-(2-methoxyethyl)benzamide
CID 72914427

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide (CID 42298282) is 2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is SGWSYDXQVSAJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN2O4/c1-29-12-9-26-23(28)20-6-5-19(30-2)14-22(20)31-18-7-10-27(11-8-18)15-16-3-4-17(25)13-21(16)24/h3-6,13-14,18H,7-12,15H2,1-2H3,(H,26,28).
What are the key properties of 2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 450.94 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 42298282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).