2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide

C23H19Br2ClN2O4 — CID 43887726

IUPAC2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C23H19Br2ClN2O4/c1-14(32-21-5-3-2-4-19(21)26)23(30)28-17-9-7-16(8-10-17)27-22(29)13-31-20-11-6-15(24)12-18(20)25/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyUVFOIFZQJYAUDF-UHFFFAOYSA-N
MW582.68 g/mol
LogP6.29
Rot. Bonds8

About 2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide

2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide (PubChem CID 43887726) has the molecular formula C23H19Br2ClN2O4 and a molecular weight of 582.68 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide
PubChem CID43887726
Molecular FormulaC23H19Br2ClN2O4
Molecular Weight582.68 g/mol
Exact Mass579.94
IUPAC Name2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C23H19Br2ClN2O4/c1-14(32-21-5-3-2-4-19(21)26)23(30)28-17-9-7-16(8-10-17)27-22(29)13-31-20-11-6-15(24)12-18(20)25/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyUVFOIFZQJYAUDF-UHFFFAOYSA-N
XLogP6.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.68
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 43887713
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023
2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
CID 43887734
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide
CID 43912205
N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide
CID 55952611
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
CID 4981508
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286
(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide
CID 40736848
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
N-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 3544904
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide (CID 43887726) is 2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide is CC(Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide?
The InChIKey is UVFOIFZQJYAUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Br2ClN2O4/c1-14(32-21-5-3-2-4-19(21)26)23(30)28-17-9-7-16(8-10-17)27-22(29)13-31-20-11-6-15(24)12-18(20)25/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide?
2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide has a molecular weight of 582.68 g/mol, XLogP of 6.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 43887726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).