4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide

C22H20BrClN2O3 — CID 108756036

IUPAC4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Br)N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C22H20BrClN2O3/c23-18-14-16(24)10-11-21(18)29-13-5-9-22(28)26(15-17-6-3-4-12-25-17)19-7-1-2-8-20(19)27/h1-4,6-8,10-12,14,27H,5,9,13,15H2
InChIKeyXHIFGXJKMBGPQH-UHFFFAOYSA-N
MW475.77 g/mol
LogP5.60
Rot. Bonds8

About 4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide

4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 108756036) has the molecular formula C22H20BrClN2O3 and a molecular weight of 475.77 g/mol. Its IUPAC name is 4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
PubChem CID108756036
Molecular FormulaC22H20BrClN2O3
Molecular Weight475.77 g/mol
Exact Mass474.03
IUPAC Name4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Br)N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C22H20BrClN2O3/c23-18-14-16(24)10-11-21(18)29-13-5-9-22(28)26(15-17-6-3-4-12-25-17)19-7-1-2-8-20(19)27/h1-4,6-8,10-12,14,27H,5,9,13,15H2
InChIKeyXHIFGXJKMBGPQH-UHFFFAOYSA-N
XLogP5.60
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.77
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 108756034
3-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 108811025
4-chloro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755921
4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide
CID 108732561
ethyl 4-(2-bromo-4-chlorophenoxy)butanoate
CID 91657428
2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 108756010
N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 55890261
2,2,2-trifluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 108755903
5-chloro-2-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565718
4-ethoxy-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755953
4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 108732452
3-ethoxy-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108732529

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide (CID 108756036) is 4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide is O=C(CCCOc1ccc(Cl)cc1Br)N(Cc1ccccn1)c1ccccc1O.
What is the InChIKey of 4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is XHIFGXJKMBGPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrClN2O3/c23-18-14-16(24)10-11-21(18)29-13-5-9-22(28)26(15-17-6-3-4-12-25-17)19-7-1-2-8-20(19)27/h1-4,6-8,10-12,14,27H,5,9,13,15H2.
What are the key properties of 4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide?
4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 475.77 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 108756036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).