N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide

C23H18Cl2N2O3 — CID 26899017

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H18Cl2N2O3/c1-27(13-20(28)26-22-16(24)9-6-10-17(22)25)23(29)21-14-7-2-4-11-18(14)30-19-12-5-3-8-15(19)21/h2-12,21H,13H2,1H3,(H,26,28)
InChIKeyUOHQUDXRSMHSBG-UHFFFAOYSA-N
MW441.31 g/mol
LogP5.33
Rot. Bonds4

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide (PubChem CID 26899017) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
PubChem CID26899017
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H18Cl2N2O3/c1-27(13-20(28)26-22-16(24)9-6-10-17(22)25)23(29)21-14-7-2-4-11-18(14)30-19-12-5-3-8-15(19)21/h2-12,21H,13H2,1H3,(H,26,28)
InChIKeyUOHQUDXRSMHSBG-UHFFFAOYSA-N
XLogP5.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 51111078
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
N-ethyl-N-methyl-9H-xanthene-9-carboxamide
CID 134005625
2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78772127
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
CID 4783340
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 27890892
3-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 134044641
2-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783916
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 7780171
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 27807429

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide (CID 26899017) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide?
The InChIKey is UOHQUDXRSMHSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c1-27(13-20(28)26-22-16(24)9-6-10-17(22)25)23(29)21-14-7-2-4-11-18(14)30-19-12-5-3-8-15(19)21/h2-12,21H,13H2,1H3,(H,26,28).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide has a molecular weight of 441.31 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 26899017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).