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

C15H16ClN3O2 — CID 84551755

IUPAC4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide
SMILESNc1ccccc1OCCCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C15H16ClN3O2/c16-15-12(6-3-9-18-15)19-14(20)8-4-10-21-13-7-2-1-5-11(13)17/h1-3,5-7,9H,4,8,10,17H2,(H,19,20)
InChIKeyDUUUQFJTSSCESD-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.11
Rot. Bonds6

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

4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide (PubChem CID 84551755) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide
PubChem CID84551755
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide
SMILESNc1ccccc1OCCCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C15H16ClN3O2/c16-15-12(6-3-9-18-15)19-14(20)8-4-10-21-13-7-2-1-5-11(13)17/h1-3,5-7,9H,4,8,10,17H2,(H,19,20)
InChIKeyDUUUQFJTSSCESD-UHFFFAOYSA-N
XLogP3.11
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 84553914
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide
CID 84560735
4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 84553809
4-(2-aminophenoxy)-N-(5-chloro-2-pyridinyl)butanamide
CID 84551760
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
2-(2-aminophenoxy)-N-(2-methyl-3-pyridinyl)acetamide
CID 79042181
2-amino-N-(2-chloro-3-pyridinyl)-6-methoxybenzamide
CID 81421056
3-(2-aminophenoxy)-N-(3-methyl-2-pyridinyl)propanamide
CID 61094715
4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 84553998
4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide
CID 84551759
4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 84553692

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide (CID 84551755) is 4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide is Nc1ccccc1OCCCC(=O)Nc1cccnc1Cl.
What is the InChIKey of 4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide?
The InChIKey is DUUUQFJTSSCESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-15-12(6-3-9-18-15)19-14(20)8-4-10-21-13-7-2-1-5-11(13)17/h1-3,5-7,9H,4,8,10,17H2,(H,19,20).
What are the key properties of 4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide?
4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide has a molecular weight of 305.77 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide is sourced from PubChem (CID 84551755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).