4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide

C15H15BrN2O2 — CID 27700039

IUPAC4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
SMILESO=C(CCCOc1ccc(Br)cc1)Nc1ccncc1
InChIInChI=1S/C15H15BrN2O2/c16-12-3-5-14(6-4-12)20-11-1-2-15(19)18-13-7-9-17-10-8-13/h3-10H,1-2,11H2,(H,17,18,19)
InChIKeyJOVXCNSWEYPHOG-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.64
Rot. Bonds6

About 4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide

4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide (PubChem CID 27700039) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
PubChem CID27700039
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
SMILESO=C(CCCOc1ccc(Br)cc1)Nc1ccncc1
InChIInChI=1S/C15H15BrN2O2/c16-12-3-5-14(6-4-12)20-11-1-2-15(19)18-13-7-9-17-10-8-13/h3-10H,1-2,11H2,(H,17,18,19)
InChIKeyJOVXCNSWEYPHOG-UHFFFAOYSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide
CID 39953910
4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
CID 7900115
4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2679212
4-(4-bromophenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 5032574
3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one
CID 54971367
4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide
CID 3674961
N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072293
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
CID 110757265
4-(4-bromophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 78927713
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
CID 19173838
4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 43399152

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide (CID 27700039) is 4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide is O=C(CCCOc1ccc(Br)cc1)Nc1ccncc1.
What is the InChIKey of 4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide?
The InChIKey is JOVXCNSWEYPHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-12-3-5-14(6-4-12)20-11-1-2-15(19)18-13-7-9-17-10-8-13/h3-10H,1-2,11H2,(H,17,18,19).
What are the key properties of 4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide?
4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide has a molecular weight of 335.20 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 27700039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).