3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide

C21H17Cl2NO3 — CID 108789526

IUPAC3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide
SMILESO=C(CCOc1ccccc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C21H17Cl2NO3/c22-15-10-11-20(27-16-6-2-1-3-7-16)18(14-15)24-21(25)12-13-26-19-9-5-4-8-17(19)23/h1-11,14H,12-13H2,(H,24,25)
InChIKeySPCBJJGUSCPFKI-UHFFFAOYSA-N
MW402.28 g/mol
LogP6.19
Rot. Bonds7

About 3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide

3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide (PubChem CID 108789526) has the molecular formula C21H17Cl2NO3 and a molecular weight of 402.28 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide
PubChem CID108789526
Molecular FormulaC21H17Cl2NO3
Molecular Weight402.28 g/mol
Exact Mass401.06
IUPAC Name3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide
SMILESO=C(CCOc1ccccc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C21H17Cl2NO3/c22-15-10-11-20(27-16-6-2-1-3-7-16)18(14-15)24-21(25)12-13-26-19-9-5-4-8-17(19)23/h1-11,14H,12-13H2,(H,24,25)
InChIKeySPCBJJGUSCPFKI-UHFFFAOYSA-N
XLogP6.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.28
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
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N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide
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N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789597
N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
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N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide
CID 56501217
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049483
[2-(tert-butylamino)-2-oxoethyl]-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]-methylazanium
CID 8767029
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenoxypropanehydrazide
CID 19168021

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide (CID 108789526) is 3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide is O=C(CCOc1ccccc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide?
The InChIKey is SPCBJJGUSCPFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO3/c22-15-10-11-20(27-16-6-2-1-3-7-16)18(14-15)24-21(25)12-13-26-19-9-5-4-8-17(19)23/h1-11,14H,12-13H2,(H,24,25).
What are the key properties of 3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide?
3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide has a molecular weight of 402.28 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide is sourced from PubChem (CID 108789526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).