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

C24H24BrN3O3 — CID 4943630

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)COc2ccc3ccccc3c2Br)CC1
InChIInChI=1S/C24H24BrN3O3/c1-27-12-14-28(15-13-27)24(30)19-8-4-5-9-20(19)26-22(29)16-31-21-11-10-17-6-2-3-7-18(17)23(21)25/h2-11H,12-16H2,1H3,(H,26,29)
InChIKeyLTSFHWFXDKBQGY-UHFFFAOYSA-N
MW482.38 g/mol
LogP4.01
Rot. Bonds5

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

2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 4943630) has the molecular formula C24H24BrN3O3 and a molecular weight of 482.38 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID4943630
Molecular FormulaC24H24BrN3O3
Molecular Weight482.38 g/mol
Exact Mass481.10
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)COc2ccc3ccccc3c2Br)CC1
InChIInChI=1S/C24H24BrN3O3/c1-27-12-14-28(15-13-27)24(30)19-8-4-5-9-20(19)26-22(29)16-31-21-11-10-17-6-2-3-7-18(17)23(21)25/h2-11H,12-16H2,1H3,(H,26,29)
InChIKeyLTSFHWFXDKBQGY-UHFFFAOYSA-N
XLogP4.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide
CID 17149335
2-(1-bromonaphthalen-2-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 1299627
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17188921
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17188929
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932497
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4937891
4-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3997287
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (CID 4943630) is 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is CN1CCN(C(=O)c2ccccc2NC(=O)COc2ccc3ccccc3c2Br)CC1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is LTSFHWFXDKBQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O3/c1-27-12-14-28(15-13-27)24(30)19-8-4-5-9-20(19)26-22(29)16-31-21-11-10-17-6-2-3-7-18(17)23(21)25/h2-11H,12-16H2,1H3,(H,26,29).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 482.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 4943630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).