N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide

C24H28ClFN2O2 — CID 24758296

IUPACN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide
SMILESCC(C)[C@@H](NC(=O)Cc1ccccc1F)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClFN2O2/c1-16(2)23(27-22(29)15-19-5-3-4-6-21(19)26)24(30)28-13-11-18(12-14-28)17-7-9-20(25)10-8-17/h3-10,16,18,23H,11-15H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyUXPZYDUDXSXQST-HSZRJFAPSA-N
MW430.95 g/mol
LogP4.57
Rot. Bonds6

About N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide

N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 24758296) has the molecular formula C24H28ClFN2O2 and a molecular weight of 430.95 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide
PubChem CID24758296
Molecular FormulaC24H28ClFN2O2
Molecular Weight430.95 g/mol
Exact Mass430.18
IUPAC NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide
SMILESCC(C)[C@@H](NC(=O)Cc1ccccc1F)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClFN2O2/c1-16(2)23(27-22(29)15-19-5-3-4-6-21(19)26)24(30)28-13-11-18(12-14-28)17-7-9-20(25)10-8-17/h3-10,16,18,23H,11-15H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyUXPZYDUDXSXQST-HSZRJFAPSA-N
XLogP4.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one (22)
CID 9972202
1-(4-chlorophenyl)-N-(2-(4-hydroxy-4-(trifluoromethyl)piperidin-1-yl)-3-phenylpropyl)cyclopentane-1-carboxamide
CID 121304823
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2,2-diphenylacetamide
CID 5082502
N-({[1-(4-Chloro-benzyl)-piperidin-4-ylmethyl]-carbamoyl}-methyl)-3-trifluoromethyl-benzamide
CID 508750
(2S,3S)-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895793
(2S,3S)-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895803
(2S,3S)-3-[4-(2-chlorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895818
2-[3-(4-Chloro-phenyl)-propyl]-N*1*-(2-cyclohexyl-1-phenethylcarbamoyl-ethyl)-N*4*-hydroxy-succinamide
CID 9941371
(S)-1-((2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl)-N-methylpiperidine-2-carboxamide
CID 11603611
N-((1S)-3-(4-(2-(4-chlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590633
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 53364234
(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
CID 54584254

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide (CID 24758296) is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide is CC(C)[C@@H](NC(=O)Cc1ccccc1F)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is UXPZYDUDXSXQST-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H28ClFN2O2/c1-16(2)23(27-22(29)15-19-5-3-4-6-21(19)26)24(30)28-13-11-18(12-14-28)17-7-9-20(25)10-8-17/h3-10,16,18,23H,11-15H2,1-2H3,(H,27,29)/t23-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide?
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 430.95 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 24758296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).