N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide

C14H20Cl2N2O2 — CID 102980723

IUPACN-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide
SMILESCCCC(C)OCCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-3-4-9(2)20-6-5-13(19)18-14-11(15)7-10(17)8-12(14)16/h7-9H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyQSBVGIBBKKBFBX-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.11
Rot. Bonds7

About N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide

N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide (PubChem CID 102980723) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide
PubChem CID102980723
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide
SMILESCCCC(C)OCCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-3-4-9(2)20-6-5-13(19)18-14-11(15)7-10(17)8-12(14)16/h7-9H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyQSBVGIBBKKBFBX-UHFFFAOYSA-N
XLogP4.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide
CID 102980777
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide
CID 103283073
N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide
CID 43444834
N-(4-amino-2,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43093302
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
CID 29271711
N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
CID 107753531
N-(4-amino-2,6-dichlorophenyl)-2-(3,3-dimethylbutoxy)propanamide
CID 66232439
5-amino-3-chloro-2-pentan-2-yloxybenzamide
CID 107198235
N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82004014
N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334919

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide (CID 102980723) is N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide is CCCC(C)OCCC(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide?
The InChIKey is QSBVGIBBKKBFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-3-4-9(2)20-6-5-13(19)18-14-11(15)7-10(17)8-12(14)16/h7-9H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide?
N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide has a molecular weight of 319.23 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide is sourced from PubChem (CID 102980723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).