2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide

C23H17Cl2NO5 — CID 23472059

IUPAC2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide
SMILESCOc1cccc2c(=O)c3ccc(NC(=O)C(C)Oc4ccc(Cl)cc4Cl)cc3oc12
InChIInChI=1S/C23H17Cl2NO5/c1-12(30-18-9-6-13(24)10-17(18)25)23(28)26-14-7-8-15-20(11-14)31-22-16(21(15)27)4-3-5-19(22)29-2/h3-12H,1-2H3,(H,26,28)
InChIKeyUKIIJABPKWGCQO-UHFFFAOYSA-N
MW458.30 g/mol
LogP5.67
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide

2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide (PubChem CID 23472059) has the molecular formula C23H17Cl2NO5 and a molecular weight of 458.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide
PubChem CID23472059
Molecular FormulaC23H17Cl2NO5
Molecular Weight458.30 g/mol
Exact Mass457.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide
SMILESCOc1cccc2c(=O)c3ccc(NC(=O)C(C)Oc4ccc(Cl)cc4Cl)cc3oc12
InChIInChI=1S/C23H17Cl2NO5/c1-12(30-18-9-6-13(24)10-17(18)25)23(28)26-14-7-8-15-20(11-14)31-22-16(21(15)27)4-3-5-19(22)29-2/h3-12H,1-2H3,(H,26,28)
InChIKeyUKIIJABPKWGCQO-UHFFFAOYSA-N
XLogP5.67
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.30
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide
CID 23472223
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
(2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide
CID 26020802
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40652778
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide (CID 23472059) is 2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide is COc1cccc2c(=O)c3ccc(NC(=O)C(C)Oc4ccc(Cl)cc4Cl)cc3oc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide?
The InChIKey is UKIIJABPKWGCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2NO5/c1-12(30-18-9-6-13(24)10-17(18)25)23(28)26-14-7-8-15-20(11-14)31-22-16(21(15)27)4-3-5-19(22)29-2/h3-12H,1-2H3,(H,26,28).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide?
2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide has a molecular weight of 458.30 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide is sourced from PubChem (CID 23472059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).