2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide

C22H25BrClN3O3 — CID 16613375

IUPAC2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H25BrClN3O3/c1-15-11-16(23)12-19(24)22(15)30-14-21(29)26-18-7-9-27(10-8-18)13-20(28)25-17-5-3-2-4-6-17/h2-6,11-12,18H,7-10,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyARACDHZRFPLFLL-UHFFFAOYSA-N
MW494.82 g/mol
LogP4.01
Rot. Bonds7

About 2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide

2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide (PubChem CID 16613375) has the molecular formula C22H25BrClN3O3 and a molecular weight of 494.82 g/mol. Its IUPAC name is 2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
PubChem CID16613375
Molecular FormulaC22H25BrClN3O3
Molecular Weight494.82 g/mol
Exact Mass493.08
IUPAC Name2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H25BrClN3O3/c1-15-11-16(23)12-19(24)22(15)30-14-21(29)26-18-7-9-27(10-8-18)13-20(28)25-17-5-3-2-4-6-17/h2-6,11-12,18H,7-10,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyARACDHZRFPLFLL-UHFFFAOYSA-N
XLogP4.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.82
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide with MolForge

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
5-bromo-2-[2-(cyclopropylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 112620836
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 25333210
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 55524217
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide
CID 32827783
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide
CID 16589772
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
CID 16589823
2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 37340654
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide (CID 16613375) is 2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide is Cc1cc(Br)cc(Cl)c1OCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The InChIKey is ARACDHZRFPLFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrClN3O3/c1-15-11-16(23)12-19(24)22(15)30-14-21(29)26-18-7-9-27(10-8-18)13-20(28)25-17-5-3-2-4-6-17/h2-6,11-12,18H,7-10,13-14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide has a molecular weight of 494.82 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 16613375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).