2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide

C14H18BrNO3 — CID 123971428

IUPAC2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide
SMILESCOC(C)(C(N)=O)c1ccc(OCC2CC2)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-14(18-2,13(16)17)11-6-5-10(7-12(11)15)19-8-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H2,16,17)
InChIKeyNRVGJULJQBTLFD-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.58
Rot. Bonds6

About 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide

2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide (PubChem CID 123971428) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide.

Molecular Properties

Compound Name2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide
PubChem CID123971428
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide
SMILESCOC(C)(C(N)=O)c1ccc(OCC2CC2)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-14(18-2,13(16)17)11-6-5-10(7-12(11)15)19-8-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H2,16,17)
InChIKeyNRVGJULJQBTLFD-UHFFFAOYSA-N
XLogP2.58
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(cyclopropylmethoxy)aniline
CID 97179592
2-amino-5-(cyclopropylmethoxy)benzamide
CID 61305267
2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 107278940
2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol
CID 151817566
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
tert-butyl 3-[(3-bromo-4-methoxyphenoxy)methyl]azetidine-1-carboxylate
CID 155798187
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280
[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine
CID 107275264
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
2-(2,4-difluorophenyl)-2-methoxypropanamide
CID 90905541
2-tert-butyl-5-(cyclopropylmethoxy)-N-methyl-N-methylsulfanylaniline
CID 170278228
[3-(cyclopropylmethoxy)phenyl] 2-aminoacetate
CID 134226868

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide?
The IUPAC name of 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide (CID 123971428) is 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide.
What is the SMILES notation for 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide?
The canonical SMILES for 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide is COC(C)(C(N)=O)c1ccc(OCC2CC2)cc1Br.
What is the InChIKey of 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide?
The InChIKey is NRVGJULJQBTLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-14(18-2,13(16)17)11-6-5-10(7-12(11)15)19-8-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H2,16,17).
What are the key properties of 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide?
2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide has a molecular weight of 328.21 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-2-methoxypropanamide is sourced from PubChem (CID 123971428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).