[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate

C17H14ClF2NO4 — CID 7234229

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H14ClF2NO4/c1-10-8-12(18)4-7-14(10)21-15(22)9-24-16(23)11-2-5-13(6-3-11)25-17(19)20/h2-8,17H,9H2,1H3,(H,21,22)
InChIKeyQAOUNNQYKPSLQT-UHFFFAOYSA-N
MW369.75 g/mol
LogP4.05
Rot. Bonds6

About [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate

[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate (PubChem CID 7234229) has the molecular formula C17H14ClF2NO4 and a molecular weight of 369.75 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
PubChem CID7234229
Molecular FormulaC17H14ClF2NO4
Molecular Weight369.75 g/mol
Exact Mass369.06
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H14ClF2NO4/c1-10-8-12(18)4-7-14(10)21-15(22)9-24-16(23)11-2-5-13(6-3-11)25-17(19)20/h2-8,17H,9H2,1H3,(H,21,22)
InChIKeyQAOUNNQYKPSLQT-UHFFFAOYSA-N
XLogP4.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.75
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate (CID 7234229) is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate is Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate?
The InChIKey is QAOUNNQYKPSLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO4/c1-10-8-12(18)4-7-14(10)21-15(22)9-24-16(23)11-2-5-13(6-3-11)25-17(19)20/h2-8,17H,9H2,1H3,(H,21,22).
What are the key properties of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate?
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate has a molecular weight of 369.75 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate is sourced from PubChem (CID 7234229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).