4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide

C23H18Cl4N2O4 — CID 4096963

IUPAC4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Oc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H18Cl4N2O4/c1-12(22(30)28-19-11-14(24)5-8-20(19)32-2)33-16-6-3-13(4-7-16)23(31)29-21-17(26)9-15(25)10-18(21)27/h3-12H,1-2H3,(H,28,30)(H,29,31)
InChIKeyZEMKEKIJEOFVNY-UHFFFAOYSA-N
MW528.22 g/mol
LogP6.97
Rot. Bonds7

About 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide

4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide (PubChem CID 4096963) has the molecular formula C23H18Cl4N2O4 and a molecular weight of 528.22 g/mol. Its IUPAC name is 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide.

Molecular Properties

Compound Name4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
PubChem CID4096963
Molecular FormulaC23H18Cl4N2O4
Molecular Weight528.22 g/mol
Exact Mass526.00
IUPAC Name4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Oc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H18Cl4N2O4/c1-12(22(30)28-19-11-14(24)5-8-20(19)32-2)33-16-6-3-13(4-7-16)23(31)29-21-17(26)9-15(25)10-18(21)27/h3-12H,1-2H3,(H,28,30)(H,29,31)
InChIKeyZEMKEKIJEOFVNY-UHFFFAOYSA-N
XLogP6.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.22
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide with MolForge

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Related Compounds

methyl 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 17462373
methyl 4-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965358
N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 4248246
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189
N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 2856840
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652556
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 17341494
N-(5-chloro-2-methoxyphenyl)-2-(4-propylphenoxy)propanamide
CID 53265987
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632230
(2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide
CID 7763805

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide?
The IUPAC name of 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide (CID 4096963) is 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide.
What is the SMILES notation for 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide?
The canonical SMILES for 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide is COc1ccc(Cl)cc1NC(=O)C(C)Oc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide?
The InChIKey is ZEMKEKIJEOFVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl4N2O4/c1-12(22(30)28-19-11-14(24)5-8-20(19)32-2)33-16-6-3-13(4-7-16)23(31)29-21-17(26)9-15(25)10-18(21)27/h3-12H,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide?
4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide has a molecular weight of 528.22 g/mol, XLogP of 6.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide is sourced from PubChem (CID 4096963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).