2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide

C26H26FN3O5 — CID 55341907

IUPAC2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1C
InChIInChI=1S/C26H26FN3O5/c1-16-9-8-14-22(17(16)2)35-18(3)25(32)29-30-26(33)19-10-4-7-13-23(19)34-15-24(31)28-21-12-6-5-11-20(21)27/h4-14,18H,15H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyHJZMLSCHPQYGJG-UHFFFAOYSA-N
MW479.51 g/mol
LogP3.69
Rot. Bonds8

About 2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide

2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide (PubChem CID 55341907) has the molecular formula C26H26FN3O5 and a molecular weight of 479.51 g/mol. Its IUPAC name is 2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide
PubChem CID55341907
Molecular FormulaC26H26FN3O5
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC Name2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1C
InChIInChI=1S/C26H26FN3O5/c1-16-9-8-14-22(17(16)2)35-18(3)25(32)29-30-26(33)19-10-4-7-13-23(19)34-15-24(31)28-21-12-6-5-11-20(21)27/h4-14,18H,15H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyHJZMLSCHPQYGJG-UHFFFAOYSA-N
XLogP3.69
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide
CID 46452811
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 43011953
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 112761405
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783308
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589345
N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43915329

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide (CID 55341907) is 2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide is Cc1cccc(OC(C)C(=O)NNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1C.
What is the InChIKey of 2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide?
The InChIKey is HJZMLSCHPQYGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O5/c1-16-9-8-14-22(17(16)2)35-18(3)25(32)29-30-26(33)19-10-4-7-13-23(19)34-15-24(31)28-21-12-6-5-11-20(21)27/h4-14,18H,15H2,1-3H3,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of 2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide?
2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide has a molecular weight of 479.51 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 55341907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).