2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide

C19H20ClFN2O — CID 100516600

IUPAC2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1F)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H20ClFN2O/c20-15-5-4-14(18(21)13-15)12-19(24)22-16-6-8-17(9-7-16)23-10-2-1-3-11-23/h4-9,13H,1-3,10-12H2,(H,22,24)
InChIKeyGQJRRXOVLMDSTF-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.65
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide

2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 100516600) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID100516600
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1F)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H20ClFN2O/c20-15-5-4-14(18(21)13-15)12-19(24)22-16-6-8-17(9-7-16)23-10-2-1-3-11-23/h4-9,13H,1-3,10-12H2,(H,22,24)
InChIKeyGQJRRXOVLMDSTF-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 56921121
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 99824637
2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857739
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 16552460
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113201573
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
N-[(5-chloro-2-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 115761922
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dichlorobenzoate
CID 7857974
2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 60603019
2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
CID 17118263
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide (CID 100516600) is 2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide is O=C(Cc1ccc(Cl)cc1F)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is GQJRRXOVLMDSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c20-15-5-4-14(18(21)13-15)12-19(24)22-16-6-8-17(9-7-16)23-10-2-1-3-11-23/h4-9,13H,1-3,10-12H2,(H,22,24).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 346.83 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 100516600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).