3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one

C18H17Cl2NO3 — CID 10133470

IUPAC3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one
SMILESCOc1cccc(C2(C)CC(Nc3cc(Cl)cc(Cl)c3)C(=O)O2)c1
InChIInChI=1S/C18H17Cl2NO3/c1-18(11-4-3-5-15(6-11)23-2)10-16(17(22)24-18)21-14-8-12(19)7-13(20)9-14/h3-9,16,21H,10H2,1-2H3
InChIKeyNQZDFJWPQJORPI-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.64
Rot. Bonds4

About 3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one

3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one (PubChem CID 10133470) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is 3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one
PubChem CID10133470
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one
SMILESCOc1cccc(C2(C)CC(Nc3cc(Cl)cc(Cl)c3)C(=O)O2)c1
InChIInChI=1S/C18H17Cl2NO3/c1-18(11-4-3-5-15(6-11)23-2)10-16(17(22)24-18)21-14-8-12(19)7-13(20)9-14/h3-9,16,21H,10H2,1-2H3
InChIKeyNQZDFJWPQJORPI-UHFFFAOYSA-N
XLogP4.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one
CID 10270116
3-[(3-bromo-5-methyl-2-pyridinyl)amino]-5-(3,5-dimethoxyphenyl)-5-methyloxolan-2-one
CID 10223943
(3S)-3-(3-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860110
4-(3-methoxyphenyl)-4-methyl-5-methylidene-1,3-dioxan-2-one
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5-[2-(3-methoxyphenyl)-2-adamantyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 22609689
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
3-(3-methoxyphenyl)-3-methyldiaziridine
CID 167685636
4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one
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CID 105458750
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
N-(3-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43094337

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one?
The IUPAC name of 3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one (CID 10133470) is 3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one.
What is the SMILES notation for 3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one?
The canonical SMILES for 3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one is COc1cccc(C2(C)CC(Nc3cc(Cl)cc(Cl)c3)C(=O)O2)c1.
What is the InChIKey of 3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one?
The InChIKey is NQZDFJWPQJORPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-18(11-4-3-5-15(6-11)23-2)10-16(17(22)24-18)21-14-8-12(19)7-13(20)9-14/h3-9,16,21H,10H2,1-2H3.
What are the key properties of 3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one?
3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one has a molecular weight of 366.24 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one is sourced from PubChem (CID 10133470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).