N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide

C23H22ClNO4 — CID 100789597

IUPACN-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
SMILESCOc1cccc(OC)c1CCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C23H22ClNO4/c1-27-20-9-6-10-21(28-2)18(20)12-14-23(26)25-19-15-16(24)11-13-22(19)29-17-7-4-3-5-8-17/h3-11,13,15H,12,14H2,1-2H3,(H,25,26)
InChIKeyQTZWXOAJECTRJB-UHFFFAOYSA-N
MW411.89 g/mol
LogP5.72
Rot. Bonds8

About N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide

N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide (PubChem CID 100789597) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
PubChem CID100789597
Molecular FormulaC23H22ClNO4
Molecular Weight411.89 g/mol
Exact Mass411.12
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
SMILESCOc1cccc(OC)c1CCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C23H22ClNO4/c1-27-20-9-6-10-21(28-2)18(20)12-14-23(26)25-19-15-16(24)11-13-22(19)29-17-7-4-3-5-8-17/h3-11,13,15H,12,14H2,1-2H3,(H,25,26)
InChIKeyQTZWXOAJECTRJB-UHFFFAOYSA-N
XLogP5.72
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789502
N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide
CID 108987184
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 100573365
3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide
CID 108789526
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide
CID 100665009
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-methoxyacetamide
CID 100616707
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173306
N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 1006992
N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide
CID 18277509
N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 3512680

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide (CID 100789597) is N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide is COc1cccc(OC)c1CCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide?
The InChIKey is QTZWXOAJECTRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4/c1-27-20-9-6-10-21(28-2)18(20)12-14-23(26)25-19-15-16(24)11-13-22(19)29-17-7-4-3-5-8-17/h3-11,13,15H,12,14H2,1-2H3,(H,25,26).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide?
N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide has a molecular weight of 411.89 g/mol, XLogP of 5.72, 8 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)-3-(2,6-dimethoxyphenyl)propanamide is sourced from PubChem (CID 100789597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).