2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide

C21H22F2N2O4 — CID 108566626

IUPAC2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C21H22F2N2O4/c1-28-18-4-2-3-5-19(18)29-13-20(26)25-10-8-15(9-11-25)24-21(27)16-7-6-14(22)12-17(16)23/h2-7,12,15H,8-11,13H2,1H3,(H,24,27)
InChIKeyRDEINNFCAANQKW-UHFFFAOYSA-N
MW404.41 g/mol
LogP2.77
Rot. Bonds6

About 2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide

2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide (PubChem CID 108566626) has the molecular formula C21H22F2N2O4 and a molecular weight of 404.41 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
PubChem CID108566626
Molecular FormulaC21H22F2N2O4
Molecular Weight404.41 g/mol
Exact Mass404.15
IUPAC Name2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C21H22F2N2O4/c1-28-18-4-2-3-5-19(18)29-13-20(26)25-10-8-15(9-11-25)24-21(27)16-7-6-14(22)12-17(16)23/h2-7,12,15H,8-11,13H2,1H3,(H,24,27)
InChIKeyRDEINNFCAANQKW-UHFFFAOYSA-N
XLogP2.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2,4-difluorobenzamide
CID 108566527
3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372
2-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557222
4-tert-butyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554170
2-ethyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555633
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549210
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
CID 99468805
N-cyclopropyl-1-[2-(2-methoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 113002547
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550593
2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide
CID 108556719
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide (CID 108566626) is 2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide is COc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide?
The InChIKey is RDEINNFCAANQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O4/c1-28-18-4-2-3-5-19(18)29-13-20(26)25-10-8-15(9-11-25)24-21(27)16-7-6-14(22)12-17(16)23/h2-7,12,15H,8-11,13H2,1H3,(H,24,27).
What are the key properties of 2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide?
2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide has a molecular weight of 404.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108566626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).