[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate

C14H15Cl2NO4 — CID 47004261

IUPAC[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate
SMILESCc1ccc(Cl)c(NC(=O)COC(=O)C2CCCO2)c1Cl
InChIInChI=1S/C14H15Cl2NO4/c1-8-4-5-9(15)13(12(8)16)17-11(18)7-21-14(19)10-3-2-6-20-10/h4-5,10H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyDLYWTISVPKXSJK-UHFFFAOYSA-N
MW332.18 g/mol
LogP2.96
Rot. Bonds4

About [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate (PubChem CID 47004261) has the molecular formula C14H15Cl2NO4 and a molecular weight of 332.18 g/mol. Its IUPAC name is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate
PubChem CID47004261
Molecular FormulaC14H15Cl2NO4
Molecular Weight332.18 g/mol
Exact Mass331.04
IUPAC Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate
SMILESCc1ccc(Cl)c(NC(=O)COC(=O)C2CCCO2)c1Cl
InChIInChI=1S/C14H15Cl2NO4/c1-8-4-5-9(15)13(12(8)16)17-11(18)7-21-14(19)10-3-2-6-20-10/h4-5,10H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyDLYWTISVPKXSJK-UHFFFAOYSA-N
XLogP2.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,5-dichloroanilino)-2-oxoethyl] (2S)-oxolane-2-carboxylate
CID 725051
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] oxolane-2-carboxylate
CID 78625388
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2619150
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8808206
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507950
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518276
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916843
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2349915
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611350
N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7788200

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate?
The IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate (CID 47004261) is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate.
What is the SMILES notation for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate?
The canonical SMILES for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate is Cc1ccc(Cl)c(NC(=O)COC(=O)C2CCCO2)c1Cl.
What is the InChIKey of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate?
The InChIKey is DLYWTISVPKXSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO4/c1-8-4-5-9(15)13(12(8)16)17-11(18)7-21-14(19)10-3-2-6-20-10/h4-5,10H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate?
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate has a molecular weight of 332.18 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] oxolane-2-carboxylate is sourced from PubChem (CID 47004261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).