4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide

C23H20Cl2N2O4 — CID 4248244

IUPAC4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(OC(C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C23H20Cl2N2O4/c1-14(22(28)26-18-12-16(24)11-17(25)13-18)31-19-9-7-15(8-10-19)23(29)27-20-5-3-4-6-21(20)30-2/h3-14H,1-2H3,(H,26,28)(H,27,29)
InChIKeyCJXVKWHKJTUSCA-UHFFFAOYSA-N
MW459.33 g/mol
LogP5.66
Rot. Bonds7

About 4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide

4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide (PubChem CID 4248244) has the molecular formula C23H20Cl2N2O4 and a molecular weight of 459.33 g/mol. Its IUPAC name is 4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
PubChem CID4248244
Molecular FormulaC23H20Cl2N2O4
Molecular Weight459.33 g/mol
Exact Mass458.08
IUPAC Name4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(OC(C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C23H20Cl2N2O4/c1-14(22(28)26-18-12-16(24)11-17(25)13-18)31-19-9-7-15(8-10-19)23(29)27-20-5-3-4-6-21(20)30-2/h3-14H,1-2H3,(H,26,28)(H,27,29)
InChIKeyCJXVKWHKJTUSCA-UHFFFAOYSA-N
XLogP5.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.33
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 4248246
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
CID 1179494
4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9244689
4-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9244698
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968671
ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 731943
N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 2856840
4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4096963
4-methoxy-N-[2-(2-phenoxypropanoylamino)phenyl]benzamide
CID 17380470
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide (CID 4248244) is 4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(OC(C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide?
The InChIKey is CJXVKWHKJTUSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O4/c1-14(22(28)26-18-12-16(24)11-17(25)13-18)31-19-9-7-15(8-10-19)23(29)27-20-5-3-4-6-21(20)30-2/h3-14H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide?
4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide has a molecular weight of 459.33 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 4248244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).