N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide

C14H18Cl2N2O3 — CID 63557212

IUPACN-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CCCOC1CCOC1
InChIInChI=1S/C14H18Cl2N2O3/c15-9-6-11(16)14(12(17)7-9)18-13(19)2-1-4-21-10-3-5-20-8-10/h6-7,10H,1-5,8,17H2,(H,18,19)
InChIKeyULQIPXDKHULJJA-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.10
Rot. Bonds6

About N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide

N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide (PubChem CID 63557212) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide
PubChem CID63557212
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CCCOC1CCOC1
InChIInChI=1S/C14H18Cl2N2O3/c15-9-6-11(16)14(12(17)7-9)18-13(19)2-1-4-21-10-3-5-20-8-10/h6-7,10H,1-5,8,17H2,(H,18,19)
InChIKeyULQIPXDKHULJJA-UHFFFAOYSA-N
XLogP3.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2-(oxolan-3-yloxy)acetamide
CID 63556430
N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63556620
N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
CID 29278396
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557411
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
CID 61289162
N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66321942
N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide
CID 28549857
N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886349
N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
CID 43127069
N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61428718

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide (CID 63557212) is N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide is Nc1cc(Cl)cc(Cl)c1NC(=O)CCCOC1CCOC1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide?
The InChIKey is ULQIPXDKHULJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c15-9-6-11(16)14(12(17)7-9)18-13(19)2-1-4-21-10-3-5-20-8-10/h6-7,10H,1-5,8,17H2,(H,18,19).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide?
N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide has a molecular weight of 333.22 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide is sourced from PubChem (CID 63557212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).