N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide

C23H20Cl2N2O4 — CID 2856840

IUPACN-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C23H20Cl2N2O4/c1-14(31-17-6-4-3-5-7-17)22(28)27-20-12-15(8-11-21(20)30-2)23(29)26-19-13-16(24)9-10-18(19)25/h3-14H,1-2H3,(H,26,29)(H,27,28)
InChIKeyGUFZEEGOHZCGLZ-UHFFFAOYSA-N
MW459.33 g/mol
LogP5.66
Rot. Bonds7

About N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide

N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide (PubChem CID 2856840) has the molecular formula C23H20Cl2N2O4 and a molecular weight of 459.33 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide
PubChem CID2856840
Molecular FormulaC23H20Cl2N2O4
Molecular Weight459.33 g/mol
Exact Mass458.08
IUPAC NameN-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C23H20Cl2N2O4/c1-14(31-17-6-4-3-5-7-17)22(28)27-20-12-15(8-11-21(20)30-2)23(29)26-19-13-16(24)9-10-18(19)25/h3-14H,1-2H3,(H,26,29)(H,27,28)
InChIKeyGUFZEEGOHZCGLZ-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
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4096963
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
methyl 4-chloro-3-[[(2S)-2-phenoxypropanoyl]amino]benzoate
CID 1041019
4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 1041037
4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 5341454
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7698294
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide (CID 2856840) is N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide is COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide?
The InChIKey is GUFZEEGOHZCGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O4/c1-14(31-17-6-4-3-5-7-17)22(28)27-20-12-15(8-11-21(20)30-2)23(29)26-19-13-16(24)9-10-18(19)25/h3-14H,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide?
N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)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 N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide is sourced from PubChem (CID 2856840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).