N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide

C21H22ClFN2O2 — CID 46592898

IUPACN-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)CCc2ccccc2Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H22ClFN2O2/c22-19-4-2-1-3-15(19)7-10-20(26)25-13-11-18(12-14-25)24-21(27)16-5-8-17(23)9-6-16/h1-6,8-9,18H,7,10-14H2,(H,24,27)
InChIKeyGOUJKGJYURZWSD-UHFFFAOYSA-N
MW388.87 g/mol
LogP3.83
Rot. Bonds5

About N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide

N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 46592898) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID46592898
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC NameN-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)CCc2ccccc2Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H22ClFN2O2/c22-19-4-2-1-3-15(19)7-10-20(26)25-13-11-18(12-14-25)24-21(27)16-5-8-17(23)9-6-16/h1-6,8-9,18H,7,10-14H2,(H,24,27)
InChIKeyGOUJKGJYURZWSD-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927489
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide
CID 3218714
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide
CID 46521131
1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 120609351
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
CID 110822698
N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575452
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47071577

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide (CID 46592898) is N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide is O=C(NC1CCN(C(=O)CCc2ccccc2Cl)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is GOUJKGJYURZWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c22-19-4-2-1-3-15(19)7-10-20(26)25-13-11-18(12-14-25)24-21(27)16-5-8-17(23)9-6-16/h1-6,8-9,18H,7,10-14H2,(H,24,27).
What are the key properties of N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide?
N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 388.87 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 46592898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).