2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide

C14H17BrClNO3 — CID 78957043

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NCC1(C)COC1
InChIInChI=1S/C14H17BrClNO3/c1-9(13(18)17-6-14(2)7-19-8-14)20-12-4-3-10(16)5-11(12)15/h3-5,9H,6-8H2,1-2H3,(H,17,18)
InChIKeyVVCDFGJEIUGBEY-UHFFFAOYSA-N
MW362.65 g/mol
LogP3.02
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide

2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide (PubChem CID 78957043) has the molecular formula C14H17BrClNO3 and a molecular weight of 362.65 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
PubChem CID78957043
Molecular FormulaC14H17BrClNO3
Molecular Weight362.65 g/mol
Exact Mass361.01
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NCC1(C)COC1
InChIInChI=1S/C14H17BrClNO3/c1-9(13(18)17-6-14(2)7-19-8-14)20-12-4-3-10(16)5-11(12)15/h3-5,9H,6-8H2,1-2H3,(H,17,18)
InChIKeyVVCDFGJEIUGBEY-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956697
2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43417581
2-bromo-4-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113257527
N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
CID 4981350
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81065118
2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide
CID 47204993
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide
CID 55542671
2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 42885093
2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283555
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide (CID 78957043) is 2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)NCC1(C)COC1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The InChIKey is VVCDFGJEIUGBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO3/c1-9(13(18)17-6-14(2)7-19-8-14)20-12-4-3-10(16)5-11(12)15/h3-5,9H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide has a molecular weight of 362.65 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide is sourced from PubChem (CID 78957043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).