(2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate

C23H17Cl4NO4 — CID 5084761

IUPAC(2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate
SMILESCC(Oc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1)C(=O)OCc1ccccc1Cl
InChIInChI=1S/C23H17Cl4NO4/c1-13(23(30)31-12-15-4-2-3-5-18(15)25)32-17-8-6-14(7-9-17)22(29)28-21-19(26)10-16(24)11-20(21)27/h2-11,13H,12H2,1H3,(H,28,29)
InChIKeyXCXXUPSNSLZIES-UHFFFAOYSA-N
MW513.20 g/mol
LogP7.06
Rot. Bonds7

About (2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate

(2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate (PubChem CID 5084761) has the molecular formula C23H17Cl4NO4 and a molecular weight of 513.20 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate
PubChem CID5084761
Molecular FormulaC23H17Cl4NO4
Molecular Weight513.20 g/mol
Exact Mass510.99
IUPAC Name(2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate
SMILESCC(Oc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1)C(=O)OCc1ccccc1Cl
InChIInChI=1S/C23H17Cl4NO4/c1-13(23(30)31-12-15-4-2-3-5-18(15)25)32-17-8-6-14(7-9-17)22(29)28-21-19(26)10-16(24)11-20(21)27/h2-11,13H,12H2,1H3,(H,28,29)
InChIKeyXCXXUPSNSLZIES-UHFFFAOYSA-N
XLogP7.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.20
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate with MolForge

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Related Compounds

(2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4231696
(2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
CID 3254737
4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4055432
benzyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4066862
ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543069
(2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide
CID 7763805
4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4096963
propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543070
2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4064798
N-(4-chloro-2-methylphenyl)-4-[(2-chlorophenyl)methoxy]benzamide
CID 8813256
2-methylpropyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663940
butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229096

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of (2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate (CID 5084761) is (2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for (2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate is CC(Oc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1)C(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is XCXXUPSNSLZIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl4NO4/c1-13(23(30)31-12-15-4-2-3-5-18(15)25)32-17-8-6-14(7-9-17)22(29)28-21-19(26)10-16(24)11-20(21)27/h2-11,13H,12H2,1H3,(H,28,29).
What are the key properties of (2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate?
(2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 513.20 g/mol, XLogP of 7.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-[4-[(2,4,6-trichlorophenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 5084761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).