N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide

C14H20Cl2N2O2 — CID 43267515

IUPACN-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
SMILESCCCCOCCCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-2-3-6-20-7-4-5-13(19)18-14-11(16)8-10(15)9-12(14)17/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyHSNVEZWXXPWOPA-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.11
Rot. Bonds8

About N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide

N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide (PubChem CID 43267515) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
PubChem CID43267515
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
SMILESCCCCOCCCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-2-3-6-20-7-4-5-13(19)18-14-11(16)8-10(15)9-12(14)17/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyHSNVEZWXXPWOPA-UHFFFAOYSA-N
XLogP4.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
CID 29278396
N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
CID 43127069
N-(2-amino-4,6-dichlorophenyl)-4-propylsulfanylbutanamide
CID 29043327
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61428718
N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557212
N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
CID 43274939
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(2-amino-4,6-dichlorophenyl)-4-[ethyl(2-hydroxyethyl)amino]butanamide
CID 60981032
N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66321942
N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide
CID 43269987
N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide
CID 61286405

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide (CID 43267515) is N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide is CCCCOCCCC(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide?
The InChIKey is HSNVEZWXXPWOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-2-3-6-20-7-4-5-13(19)18-14-11(16)8-10(15)9-12(14)17/h8-9H,2-7,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide?
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide has a molecular weight of 319.23 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide is sourced from PubChem (CID 43267515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).