4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide

C16H16ClFN2O2 — CID 84553692

IUPAC4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
SMILESNc1ccccc1OCCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O2/c17-12-10-11(7-8-13(12)18)20-16(21)6-3-9-22-15-5-2-1-4-14(15)19/h1-2,4-5,7-8,10H,3,6,9,19H2,(H,20,21)
InChIKeyQFRFFCWHQFEXLH-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.86
Rot. Bonds6

About 4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide

4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide (PubChem CID 84553692) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
PubChem CID84553692
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
SMILESNc1ccccc1OCCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O2/c17-12-10-11(7-8-13(12)18)20-16(21)6-3-9-22-15-5-2-1-4-14(15)19/h1-2,4-5,7-8,10H,3,6,9,19H2,(H,20,21)
InChIKeyQFRFFCWHQFEXLH-UHFFFAOYSA-N
XLogP3.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.86
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

4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 84553809
2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide
CID 47068143
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820
4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 84553914
4-(2-aminophenoxy)-N-(5-chloro-2-pyridinyl)butanamide
CID 84551760
4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide
CID 84551757
4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 2634671
3-(2-aminophenoxy)-N-(3,5-difluorophenyl)propanamide
CID 61092470

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide (CID 84553692) is 4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide is Nc1ccccc1OCCCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide?
The InChIKey is QFRFFCWHQFEXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c17-12-10-11(7-8-13(12)18)20-16(21)6-3-9-22-15-5-2-1-4-14(15)19/h1-2,4-5,7-8,10H,3,6,9,19H2,(H,20,21).
What are the key properties of 4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide?
4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide has a molecular weight of 322.77 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide is sourced from PubChem (CID 84553692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).