2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide

C14H19Cl2NO2 — CID 115279930

IUPAC2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-9(2)6-7-17-14(18)10(3)19-13-8-11(15)4-5-12(13)16/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)
InChIKeyZACHVAPJXXJVIN-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.92
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide

2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide (PubChem CID 115279930) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide
PubChem CID115279930
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-9(2)6-7-17-14(18)10(3)19-13-8-11(15)4-5-12(13)16/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)
InChIKeyZACHVAPJXXJVIN-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
(2S)-2-(2,5-dichlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 40744738
2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
CID 60720963
(2R)-2-(2,5-dichlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2588733
(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 903590
(2S)-2-(2,5-dichlorophenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 40811109
(2R)-2-(2,5-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 7185247
2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 65102583

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide (CID 115279930) is 2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide?
The InChIKey is ZACHVAPJXXJVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-9(2)6-7-17-14(18)10(3)19-13-8-11(15)4-5-12(13)16/h4-5,8-10H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide?
2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide has a molecular weight of 304.22 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 115279930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).