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

C22H21ClN2O3 — CID 108756034

IUPAC4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccccc1Cl)N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C22H21ClN2O3/c23-18-9-1-4-12-21(18)28-15-7-13-22(27)25(16-17-8-5-6-14-24-17)19-10-2-3-11-20(19)26/h1-6,8-12,14,26H,7,13,15-16H2
InChIKeyIARUCCBRAFLWPH-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.83
Rot. Bonds8

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

4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 108756034) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
PubChem CID108756034
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccccc1Cl)N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C22H21ClN2O3/c23-18-9-1-4-12-21(18)28-15-7-13-22(27)25(16-17-8-5-6-14-24-17)19-10-2-3-11-20(19)26/h1-6,8-12,14,26H,7,13,15-16H2
InChIKeyIARUCCBRAFLWPH-UHFFFAOYSA-N
XLogP4.83
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 108811025
4-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 108756036
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
2,2,2-trifluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 108755903
4-fluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755912
N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 55890261
4-ethoxy-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755953
N-(2-hydroxyphenyl)-2,2-diphenyl-N-(pyridin-2-ylmethyl)acetamide
CID 108755915
2-(1-adamantyl)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 108755936
2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 108756010
4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 108732452

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide (CID 108756034) is 4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide is O=C(CCCOc1ccccc1Cl)N(Cc1ccccn1)c1ccccc1O.
What is the InChIKey of 4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is IARUCCBRAFLWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c23-18-9-1-4-12-21(18)28-15-7-13-22(27)25(16-17-8-5-6-14-24-17)19-10-2-3-11-20(19)26/h1-6,8-12,14,26H,7,13,15-16H2.
What are the key properties of 4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide?
4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 396.87 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 108756034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).