N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide

C21H22ClFN2O3 — CID 108549415

IUPACN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H22ClFN2O3/c1-14(28-19-8-4-16(22)5-9-19)21(27)25-12-10-18(11-13-25)24-20(26)15-2-6-17(23)7-3-15/h2-9,14,18H,10-13H2,1H3,(H,24,26)
InChIKeyUIXRDUPYIWWZHU-UHFFFAOYSA-N
MW404.87 g/mol
LogP3.67
Rot. Bonds5

About N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide

N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 108549415) has the molecular formula C21H22ClFN2O3 and a molecular weight of 404.87 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID108549415
Molecular FormulaC21H22ClFN2O3
Molecular Weight404.87 g/mol
Exact Mass404.13
IUPAC NameN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H22ClFN2O3/c1-14(28-19-8-4-16(22)5-9-19)21(27)25-12-10-18(11-13-25)24-20(26)15-2-6-17(23)7-3-15/h2-9,14,18H,10-13H2,1H3,(H,24,26)
InChIKeyUIXRDUPYIWWZHU-UHFFFAOYSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558175
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555019
2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108556788
3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557466
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-oxopentanamide
CID 108558057
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557567
2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108549664
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide (CID 108549415) is N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide is CC(Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is UIXRDUPYIWWZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O3/c1-14(28-19-8-4-16(22)5-9-19)21(27)25-12-10-18(11-13-25)24-20(26)15-2-6-17(23)7-3-15/h2-9,14,18H,10-13H2,1H3,(H,24,26).
What are the key properties of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide?
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 404.87 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 108549415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).