N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide

C23H19Cl2FN2O4 — CID 155923420

IUPACN-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1NC(=O)COc1c(F)cccc1Cl
InChIInChI=1S/C23H19Cl2FN2O4/c1-14-11-15(24)9-10-20(14)31-12-21(29)27-18-7-2-3-8-19(18)28-22(30)13-32-23-16(25)5-4-6-17(23)26/h2-11H,12-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyBHRDTUVRBWQHHS-UHFFFAOYSA-N
MW477.32 g/mol
LogP5.48
Rot. Bonds8

About N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide

N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 155923420) has the molecular formula C23H19Cl2FN2O4 and a molecular weight of 477.32 g/mol. Its IUPAC name is N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID155923420
Molecular FormulaC23H19Cl2FN2O4
Molecular Weight477.32 g/mol
Exact Mass476.07
IUPAC NameN-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1NC(=O)COc1c(F)cccc1Cl
InChIInChI=1S/C23H19Cl2FN2O4/c1-14-11-15(24)9-10-20(14)31-12-21(29)27-18-7-2-3-8-19(18)28-22(30)13-32-23-16(25)5-4-6-17(23)26/h2-11H,12-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyBHRDTUVRBWQHHS-UHFFFAOYSA-N
XLogP5.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.32
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300862
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 17074239
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779559
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
2-(2-chloro-5-methylphenoxy)-N-(2-fluorophenyl)acetamide
CID 7642832

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide (CID 155923420) is N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1NC(=O)COc1c(F)cccc1Cl.
What is the InChIKey of N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is BHRDTUVRBWQHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN2O4/c1-14-11-15(24)9-10-20(14)31-12-21(29)27-18-7-2-3-8-19(18)28-22(30)13-32-23-16(25)5-4-6-17(23)26/h2-11H,12-13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide?
N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 477.32 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 155923420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).