2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide

C22H26ClFN2O — CID 133187413

IUPAC2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
SMILESCC1CCN(c2ccc(C(C)NC(=O)Cc3ccc(Cl)cc3F)cc2)CC1
InChIInChI=1S/C22H26ClFN2O/c1-15-9-11-26(12-10-15)20-7-4-17(5-8-20)16(2)25-22(27)13-18-3-6-19(23)14-21(18)24/h3-8,14-16H,9-13H2,1-2H3,(H,25,27)
InChIKeyKWNDRCOLZWHXIL-UHFFFAOYSA-N
MW388.91 g/mol
LogP5.14
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide

2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide (PubChem CID 133187413) has the molecular formula C22H26ClFN2O and a molecular weight of 388.91 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
PubChem CID133187413
Molecular FormulaC22H26ClFN2O
Molecular Weight388.91 g/mol
Exact Mass388.17
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
SMILESCC1CCN(c2ccc(C(C)NC(=O)Cc3ccc(Cl)cc3F)cc2)CC1
InChIInChI=1S/C22H26ClFN2O/c1-15-9-11-26(12-10-15)20-7-4-17(5-8-20)16(2)25-22(27)13-18-3-6-19(23)14-21(18)24/h3-8,14-16H,9-13H2,1-2H3,(H,25,27)
InChIKeyKWNDRCOLZWHXIL-UHFFFAOYSA-N
XLogP5.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.91
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132658442
2-(4-chlorophenoxy)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 99993525
2-(3,4-dimethylphenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132654687
(E)-3-(2,4-dichlorophenyl)-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]prop-2-enamide
CID 99996241
4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 133219418
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 132661788
2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 99994165
2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100711058
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43897891
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43894049
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758340
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-pyrazol-1-ylacetamide
CID 110244369

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide (CID 133187413) is 2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide is CC1CCN(c2ccc(C(C)NC(=O)Cc3ccc(Cl)cc3F)cc2)CC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
The InChIKey is KWNDRCOLZWHXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O/c1-15-9-11-26(12-10-15)20-7-4-17(5-8-20)16(2)25-22(27)13-18-3-6-19(23)14-21(18)24/h3-8,14-16H,9-13H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide has a molecular weight of 388.91 g/mol, XLogP of 5.14, 5 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-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 133187413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).