2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide

C18H20BrNO3 — CID 17161566

IUPAC2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide
SMILESCCC(C)Oc1cccc(NC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrNO3/c1-3-13(2)23-17-6-4-5-15(11-17)20-18(21)12-22-16-9-7-14(19)8-10-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyGHJCPFIEUKILIT-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.64
Rot. Bonds7

About 2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide

2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide (PubChem CID 17161566) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide
PubChem CID17161566
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide
SMILESCCC(C)Oc1cccc(NC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrNO3/c1-3-13(2)23-17-6-4-5-15(11-17)20-18(21)12-22-16-9-7-14(19)8-10-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyGHJCPFIEUKILIT-UHFFFAOYSA-N
XLogP4.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1371979
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
2-(2-aminoethoxy)-N-(3-butan-2-yloxyphenyl)acetamide
CID 79479756
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2357826
ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
CID 35775899
N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820106

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide (CID 17161566) is 2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide is CCC(C)Oc1cccc(NC(=O)COc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide?
The InChIKey is GHJCPFIEUKILIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-3-13(2)23-17-6-4-5-15(11-17)20-18(21)12-22-16-9-7-14(19)8-10-16/h4-11,13H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide?
2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide has a molecular weight of 378.27 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 17161566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).