2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide

C26H22ClN3O2 — CID 78806460

IUPAC2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Cl)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C26H22ClN3O2/c27-24-15-23(22-6-2-1-3-7-22)8-9-25(24)32-19-26(31)30(17-20-10-13-28-14-11-20)18-21-5-4-12-29-16-21/h1-16H,17-19H2
InChIKeyBLEZDIDDGQZCMT-UHFFFAOYSA-N
MW443.93 g/mol
LogP5.40
Rot. Bonds8

About 2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide

2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 78806460) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID78806460
Molecular FormulaC26H22ClN3O2
Molecular Weight443.93 g/mol
Exact Mass443.14
IUPAC Name2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Cl)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C26H22ClN3O2/c27-24-15-23(22-6-2-1-3-7-22)8-9-25(24)32-19-26(31)30(17-20-10-13-28-14-11-20)18-21-5-4-12-29-16-21/h1-16H,17-19H2
InChIKeyBLEZDIDDGQZCMT-UHFFFAOYSA-N
XLogP5.40
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol
CID 54290314
N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4667979
2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 99182792
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 78813743
2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 24639231
N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 168853807
N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 168853808
1-benzyl-3-(3-chloro-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 3504371
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
CID 112978890
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792706

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide (CID 78806460) is 2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide is O=C(COc1ccc(-c2ccccc2)cc1Cl)N(Cc1ccncc1)Cc1cccnc1.
What is the InChIKey of 2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is BLEZDIDDGQZCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2/c27-24-15-23(22-6-2-1-3-7-22)8-9-25(24)32-19-26(31)30(17-20-10-13-28-14-11-20)18-21-5-4-12-29-16-21/h1-16H,17-19H2.
What are the key properties of 2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 443.93 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 78806460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).