N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide

C22H15Cl2NO4 — CID 23472223

IUPACN-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1
InChIInChI=1S/C22H15Cl2NO4/c1-12(28-18-8-3-2-6-16(18)23)22(27)25-13-9-10-14-19(11-13)29-21-15(20(14)26)5-4-7-17(21)24/h2-12H,1H3,(H,25,27)
InChIKeyDRKHHMMXQJKMIM-UHFFFAOYSA-N
MW428.27 g/mol
LogP5.66
Rot. Bonds4

About N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide

N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide (PubChem CID 23472223) has the molecular formula C22H15Cl2NO4 and a molecular weight of 428.27 g/mol. Its IUPAC name is N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide
PubChem CID23472223
Molecular FormulaC22H15Cl2NO4
Molecular Weight428.27 g/mol
Exact Mass427.04
IUPAC NameN-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1
InChIInChI=1S/C22H15Cl2NO4/c1-12(28-18-8-3-2-6-16(18)23)22(27)25-13-9-10-14-19(11-13)29-21-15(20(14)26)5-4-7-17(21)24/h2-12H,1H3,(H,25,27)
InChIKeyDRKHHMMXQJKMIM-UHFFFAOYSA-N
XLogP5.66
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.27
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide
CID 23472059
2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide
CID 4901432
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
N-dibenzofuran-3-yl-2-(2-methylphenoxy)propanamide
CID 133239743
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259641
(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259676
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate
CID 43886476
N-dibenzofuran-3-yl-2-phenoxypropanamide
CID 133234579
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide?
The IUPAC name of N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide (CID 23472223) is N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide.
What is the SMILES notation for N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide?
The canonical SMILES for N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide is CC(Oc1ccccc1Cl)C(=O)Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1.
What is the InChIKey of N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide?
The InChIKey is DRKHHMMXQJKMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO4/c1-12(28-18-8-3-2-6-16(18)23)22(27)25-13-9-10-14-19(11-13)29-21-15(20(14)26)5-4-7-17(21)24/h2-12H,1H3,(H,25,27).
What are the key properties of N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide?
N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide has a molecular weight of 428.27 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide is sourced from PubChem (CID 23472223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).