2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide

C21H20BrNO3 — CID 17340204

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C21H20BrNO3/c1-14(2)26-17-10-8-16(9-11-17)23-20(24)13-25-19-12-7-15-5-3-4-6-18(15)21(19)22/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyRBXZFMKSHFDBNL-UHFFFAOYSA-N
MW414.30 g/mol
LogP5.41
Rot. Bonds6

About 2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 17340204) has the molecular formula C21H20BrNO3 and a molecular weight of 414.30 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID17340204
Molecular FormulaC21H20BrNO3
Molecular Weight414.30 g/mol
Exact Mass413.06
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C21H20BrNO3/c1-14(2)26-17-10-8-16(9-11-17)23-20(24)13-25-19-12-7-15-5-3-4-6-18(15)21(19)22/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyRBXZFMKSHFDBNL-UHFFFAOYSA-N
XLogP5.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.30
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154684
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
CID 24605889
2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
CID 37027688
N-[3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]phenyl]-2-methylpropanamide
CID 17189164
2-(1-bromonaphthalen-2-yl)oxy-N-(4-sulfamoylphenyl)acetamide
CID 1186575
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
CID 17218734
N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925252
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(4-methoxyphenyl)acetamide
CID 3326030
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340191
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide (CID 17340204) is 2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is RBXZFMKSHFDBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrNO3/c1-14(2)26-17-10-8-16(9-11-17)23-20(24)13-25-19-12-7-15-5-3-4-6-18(15)21(19)22/h3-12,14H,13H2,1-2H3,(H,23,24).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 414.30 g/mol, XLogP of 5.41, 6 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-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 17340204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).