2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide

C19H24ClFN4O — CID 131924794

IUPAC2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCc1ncc(CN2CCC(CNC(=O)Cc3c(F)cccc3Cl)CC2)[nH]1
InChIInChI=1S/C19H24ClFN4O/c1-13-22-11-15(24-13)12-25-7-5-14(6-8-25)10-23-19(26)9-16-17(20)3-2-4-18(16)21/h2-4,11,14H,5-10,12H2,1H3,(H,22,24)(H,23,26)
InChIKeyPVZZZAPYYAJPKF-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.08
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 131924794) has the molecular formula C19H24ClFN4O and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID131924794
Molecular FormulaC19H24ClFN4O
Molecular Weight378.88 g/mol
Exact Mass378.16
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCc1ncc(CN2CCC(CNC(=O)Cc3c(F)cccc3Cl)CC2)[nH]1
InChIInChI=1S/C19H24ClFN4O/c1-13-22-11-15(24-13)12-25-7-5-14(6-8-25)10-23-19(26)9-16-17(20)3-2-4-18(16)21/h2-4,11,14H,5-10,12H2,1H3,(H,22,24)(H,23,26)
InChIKeyPVZZZAPYYAJPKF-UHFFFAOYSA-N
XLogP3.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95199379
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131893384
N-[(3-chlorocyclopentyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 106126488
2-methoxy-N-[[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95192212
2-(2-chloro-6-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142509
2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 56711026
2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide
CID 114307086
2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 56710034
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 111112760
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45020578
2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119879595

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide (CID 131924794) is 2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide is Cc1ncc(CN2CCC(CNC(=O)Cc3c(F)cccc3Cl)CC2)[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is PVZZZAPYYAJPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN4O/c1-13-22-11-15(24-13)12-25-7-5-14(6-8-25)10-23-19(26)9-16-17(20)3-2-4-18(16)21/h2-4,11,14H,5-10,12H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 378.88 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 131924794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).