N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C18H20BrNO2 — CID 1181239

IUPACN-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C18H20BrNO2/c1-12(2)16-8-7-13(3)9-17(16)22-11-18(21)20-15-6-4-5-14(19)10-15/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyIPMWOGZSSNJUFL-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.90
Rot. Bonds5

About N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 1181239) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID1181239
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C18H20BrNO2/c1-12(2)16-8-7-13(3)9-17(16)22-11-18(21)20-15-6-4-5-14(19)10-15/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyIPMWOGZSSNJUFL-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26164580
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 4787643
N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231324
ethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 17066452
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1325958
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-butan-2-yl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17198816
[2-(3-acetylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839422

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 1181239) is N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is IPMWOGZSSNJUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-12(2)16-8-7-13(3)9-17(16)22-11-18(21)20-15-6-4-5-14(19)10-15/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 362.27 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1181239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).