N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide

C23H22ClNO4 — CID 18277509

IUPACN-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C23H22ClNO4/c1-2-14-27-21-10-6-7-11-22(21)28-16-23(26)25-19-15-17(24)12-13-20(19)29-18-8-4-3-5-9-18/h3-13,15H,2,14,16H2,1H3,(H,25,26)
InChIKeyBCAZJUJMLOMBMJ-UHFFFAOYSA-N
MW411.89 g/mol
LogP5.94
Rot. Bonds9

About N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide

N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide (PubChem CID 18277509) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide
PubChem CID18277509
Molecular FormulaC23H22ClNO4
Molecular Weight411.89 g/mol
Exact Mass411.12
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C23H22ClNO4/c1-2-14-27-21-10-6-7-11-22(21)28-16-23(26)25-19-15-17(24)12-13-20(19)29-18-8-4-3-5-9-18/h3-13,15H,2,14,16H2,1H3,(H,25,26)
InChIKeyBCAZJUJMLOMBMJ-UHFFFAOYSA-N
XLogP5.94
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide
CID 108789526
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
1-(5-chloro-2-phenoxyphenyl)-3-propylurea
CID 100748519
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
N-(5-chloro-2-pyridinyl)-2-(2-propoxyphenoxy)acetamide
CID 34135754
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4853195
2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4733171
N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789597
N-(2-ethylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7750885
6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide (CID 18277509) is N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide is CCCOc1ccccc1OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide?
The InChIKey is BCAZJUJMLOMBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4/c1-2-14-27-21-10-6-7-11-22(21)28-16-23(26)25-19-15-17(24)12-13-20(19)29-18-8-4-3-5-9-18/h3-13,15H,2,14,16H2,1H3,(H,25,26).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide has a molecular weight of 411.89 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide is sourced from PubChem (CID 18277509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).