2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C25H25BrN2O3 — CID 28637403

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)COc3ccc4ccccc4c3Br)c2)CC1
InChIInChI=1S/C25H25BrN2O3/c1-17-11-13-28(14-12-17)25(30)19-6-4-7-20(15-19)27-23(29)16-31-22-10-9-18-5-2-3-8-21(18)24(22)26/h2-10,15,17H,11-14,16H2,1H3,(H,27,29)
InChIKeyZNLJIONRJJYKEA-UHFFFAOYSA-N
MW481.39 g/mol
LogP5.49
Rot. Bonds5

About 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 28637403) has the molecular formula C25H25BrN2O3 and a molecular weight of 481.39 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID28637403
Molecular FormulaC25H25BrN2O3
Molecular Weight481.39 g/mol
Exact Mass480.10
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)COc3ccc4ccccc4c3Br)c2)CC1
InChIInChI=1S/C25H25BrN2O3/c1-17-11-13-28(14-12-17)25(30)19-6-4-7-20(15-19)27-23(29)16-31-22-10-9-18-5-2-3-8-21(18)24(22)26/h2-10,15,17H,11-14,16H2,1H3,(H,27,29)
InChIKeyZNLJIONRJJYKEA-UHFFFAOYSA-N
XLogP5.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 28637432
2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 28637588
3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide
CID 26160442
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-naphthalen-2-ylacetamide
CID 54843036
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-[3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]phenyl]-2-methylpropanamide
CID 17189164
2-(1-bromonaphthalen-2-yl)oxy-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154684
2-(2-bromoanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54816568
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169791
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 26157869
2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 26161547

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 28637403) is 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is CC1CCN(C(=O)c2cccc(NC(=O)COc3ccc4ccccc4c3Br)c2)CC1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is ZNLJIONRJJYKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O3/c1-17-11-13-28(14-12-17)25(30)19-6-4-7-20(15-19)27-23(29)16-31-22-10-9-18-5-2-3-8-21(18)24(22)26/h2-10,15,17H,11-14,16H2,1H3,(H,27,29).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 481.39 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 28637403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).