N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide

C23H20Cl2N2O4 — CID 4248246

IUPACN-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCOc1ccccc1NC(=O)C(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C23H20Cl2N2O4/c1-14(22(28)26-19-5-3-4-6-21(19)30-2)31-17-10-7-15(8-11-17)23(29)27-20-13-16(24)9-12-18(20)25/h3-14H,1-2H3,(H,26,28)(H,27,29)
InChIKeyOPTIUXKFEPXXTK-UHFFFAOYSA-N
MW459.33 g/mol
LogP5.66
Rot. Bonds7

About N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide

N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 4248246) has the molecular formula C23H20Cl2N2O4 and a molecular weight of 459.33 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID4248246
Molecular FormulaC23H20Cl2N2O4
Molecular Weight459.33 g/mol
Exact Mass458.08
IUPAC NameN-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCOc1ccccc1NC(=O)C(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C23H20Cl2N2O4/c1-14(22(28)26-19-5-3-4-6-21(19)30-2)31-17-10-7-15(8-11-17)23(29)27-20-13-16(24)9-12-18(20)25/h3-14H,1-2H3,(H,26,28)(H,27,29)
InChIKeyOPTIUXKFEPXXTK-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-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 2856840
4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
CID 4248244
4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4096963
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179514
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-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968671
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
CID 1179494
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide
CID 4055433

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide (CID 4248246) is N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide is COc1ccccc1NC(=O)C(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is OPTIUXKFEPXXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O4/c1-14(22(28)26-19-5-3-4-6-21(19)30-2)31-17-10-7-15(8-11-17)23(29)27-20-13-16(24)9-12-18(20)25/h3-14H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide?
N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide 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 N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 4248246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).