2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide

C15H19BrN2O2 — CID 83145925

IUPAC2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(Br)cc1C#N
InChIInChI=1S/C15H19BrN2O2/c1-4-13(5-2)18-15(19)10(3)20-14-7-6-12(16)8-11(14)9-17/h6-8,10,13H,4-5H2,1-3H3,(H,18,19)
InChIKeyRZVDWRRTDMWSCO-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide

2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide (PubChem CID 83145925) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide
PubChem CID83145925
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(Br)cc1C#N
InChIInChI=1S/C15H19BrN2O2/c1-4-13(5-2)18-15(19)10(3)20-14-7-6-12(16)8-11(14)9-17/h6-8,10,13H,4-5H2,1-3H3,(H,18,19)
InChIKeyRZVDWRRTDMWSCO-UHFFFAOYSA-N
XLogP3.39
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-cyanophenoxy)butanoic acid
CID 83145907
2-(4-bromo-2-carbamothioylphenoxy)-N-pentan-3-ylpropanamide
CID 83136097
2-(5-bromo-2-cyanoanilino)-N-pentan-3-ylpropanamide
CID 107798095
5-bromo-2-pentan-3-yloxybenzonitrile
CID 83146232
(2S)-2-(5-bromo-2-cyanophenoxy)propanoic acid
CID 131211264
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylpropanamide
CID 63045151
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
2-(4-bromo-2-cyanophenoxy)-3-methylbutanehydrazide
CID 83145468
2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid
CID 43469183
2-(4-amino-2-cyanophenoxy)-N-propylpropanamide
CID 61268838
2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide
CID 61269021
2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide
CID 107789169

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide (CID 83145925) is 2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1ccc(Br)cc1C#N.
What is the InChIKey of 2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide?
The InChIKey is RZVDWRRTDMWSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-13(5-2)18-15(19)10(3)20-14-7-6-12(16)8-11(14)9-17/h6-8,10,13H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide?
2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide has a molecular weight of 339.23 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 83145925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).