2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

C23H24ClN3O3 — CID 66526372

IUPAC2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Cl)cc2CNCCOc2ccccn2)cc1
InChIInChI=1S/C23H24ClN3O3/c1-17-5-8-20(9-6-17)27-22(28)16-30-21-10-7-19(24)14-18(21)15-25-12-13-29-23-4-2-3-11-26-23/h2-11,14,25H,12-13,15-16H2,1H3,(H,27,28)
InChIKeyMFJCJGRVEKUKQQ-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.23
Rot. Bonds10

About 2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 66526372) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID66526372
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Cl)cc2CNCCOc2ccccn2)cc1
InChIInChI=1S/C23H24ClN3O3/c1-17-5-8-20(9-6-17)27-22(28)16-30-21-10-7-19(24)14-18(21)15-25-12-13-29-23-4-2-3-11-26-23/h2-11,14,25H,12-13,15-16H2,1H3,(H,27,28)
InChIKeyMFJCJGRVEKUKQQ-UHFFFAOYSA-N
XLogP4.23
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-chloro-2-methoxy-4-[(3-pyridin-2-yloxypropylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66530324
2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66525885
N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 66526190
N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526352
2-[4-chloro-2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51996467
2-[4-chloro-2-[(3,5-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539842
N-[(5-chloro-2-methoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526415
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 43277899
N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526751
N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]acetamide
CID 66531361
2-[4-chloro-2-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986965
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66538843

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 66526372) is 2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNCCOc2ccccn2)cc1.
What is the InChIKey of 2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is MFJCJGRVEKUKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-17-5-8-20(9-6-17)27-22(28)16-30-21-10-7-19(24)14-18(21)15-25-12-13-29-23-4-2-3-11-26-23/h2-11,14,25H,12-13,15-16H2,1H3,(H,27,28).
What are the key properties of 2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 425.92 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 66526372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).