2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide

C16H23BrClNO3 — CID 55542671

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide
SMILESCCCCOCCCNC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C16H23BrClNO3/c1-3-4-9-21-10-5-8-19-16(20)12(2)22-15-7-6-13(18)11-14(15)17/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,20)
InChIKeyRJDDRWUIONOZBM-UHFFFAOYSA-N
MW392.72 g/mol
LogP4.19
Rot. Bonds10

About 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide (PubChem CID 55542671) has the molecular formula C16H23BrClNO3 and a molecular weight of 392.72 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide
PubChem CID55542671
Molecular FormulaC16H23BrClNO3
Molecular Weight392.72 g/mol
Exact Mass391.05
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide
SMILESCCCCOCCCNC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C16H23BrClNO3/c1-3-4-9-21-10-5-8-19-16(20)12(2)22-15-7-6-13(18)11-14(15)17/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,20)
InChIKeyRJDDRWUIONOZBM-UHFFFAOYSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.72
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43417581
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide
CID 17095115
N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide
CID 17340339
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-butylpropanamide
CID 63052000
2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4981442
N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
CID 4981350
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-(3-methoxypropyl)benzamide
CID 17148367
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81065118
2-[1-(butylamino)-1-oxopropan-2-yl]oxy-5-chlorobenzenesulfonyl chloride
CID 82911347

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide (CID 55542671) is 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide is CCCCOCCCNC(=O)C(C)Oc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide?
The InChIKey is RJDDRWUIONOZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO3/c1-3-4-9-21-10-5-8-19-16(20)12(2)22-15-7-6-13(18)11-14(15)17/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide has a molecular weight of 392.72 g/mol, XLogP of 4.19, 10 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-butoxypropyl)propanamide is sourced from PubChem (CID 55542671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).