2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide

C16H23Cl2NO2 — CID 4098989

IUPAC2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2NO2/c1-4-5-6-7-11(2)19-16(20)12(3)21-15-9-8-13(17)10-14(15)18/h8-12H,4-7H2,1-3H3,(H,19,20)
InChIKeyIFSGYZOLWYDQPN-UHFFFAOYSA-N
MW332.27 g/mol
LogP4.85
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide

2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide (PubChem CID 4098989) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
PubChem CID4098989
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2NO2/c1-4-5-6-7-11(2)19-16(20)12(3)21-15-9-8-13(17)10-14(15)18/h8-12H,4-7H2,1-3H3,(H,19,20)
InChIKeyIFSGYZOLWYDQPN-UHFFFAOYSA-N
XLogP4.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide 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

(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide
CID 3347713
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7506039
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041
(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide
CID 40537766
2-(3-chlorophenoxy)-N-heptan-2-ylpropanamide
CID 4097223
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 3825551
2-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]-N-pentan-2-ylpropanamide
CID 63366584
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide (CID 4098989) is 2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide is CCCCCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide?
The InChIKey is IFSGYZOLWYDQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2/c1-4-5-6-7-11(2)19-16(20)12(3)21-15-9-8-13(17)10-14(15)18/h8-12H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide?
2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide has a molecular weight of 332.27 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide is sourced from PubChem (CID 4098989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).