[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate

C19H17ClF2O5 — CID 7711704

IUPAC[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(C)C
InChIInChI=1S/C19H17ClF2O5/c1-10(2)27-18-13(20)6-12(8-17(18)25-3)19(24)26-9-16(23)11-4-5-14(21)15(22)7-11/h4-8,10H,9H2,1-3H3
InChIKeyDRZTXYURPFQYHS-UHFFFAOYSA-N
MW398.79 g/mol
LogP4.45
Rot. Bonds7

About [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate

[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate (PubChem CID 7711704) has the molecular formula C19H17ClF2O5 and a molecular weight of 398.79 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
PubChem CID7711704
Molecular FormulaC19H17ClF2O5
Molecular Weight398.79 g/mol
Exact Mass398.07
IUPAC Name[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(C)C
InChIInChI=1S/C19H17ClF2O5/c1-10(2)27-18-13(20)6-12(8-17(18)25-3)19(24)26-9-16(23)11-4-5-14(21)15(22)7-11/h4-8,10H,9H2,1-3H3
InChIKeyDRZTXYURPFQYHS-UHFFFAOYSA-N
XLogP4.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.79
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate with MolForge

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 7711741
[(2S)-1-amino-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 7711880
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 16517096
[2-(3,4-difluorophenyl)-2-oxoethyl] (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoate
CID 7683916
[2-(4-chlorophenyl)-2-oxoethyl] 3-chloro-4,5-diethoxybenzoate
CID 3931709
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 7711594
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7486965
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 16517088
[2-(4-acetamidophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate
CID 42487122
4-O-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7488857
[2-(4-chlorophenyl)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 3269803
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8588920

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate?
The IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate (CID 7711704) is [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate?
The canonical SMILES for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate is COc1cc(C(=O)OCC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(C)C.
What is the InChIKey of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate?
The InChIKey is DRZTXYURPFQYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2O5/c1-10(2)27-18-13(20)6-12(8-17(18)25-3)19(24)26-9-16(23)11-4-5-14(21)15(22)7-11/h4-8,10H,9H2,1-3H3.
What are the key properties of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate?
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate has a molecular weight of 398.79 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate is sourced from PubChem (CID 7711704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).