methyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate

C19H20FNO4 — CID 68889347

IUPACmethyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate
SMILESCNC(=O)c1cc(F)cc(-c2ccc(OC(C)C)c(C(=O)OC)c2)c1
InChIInChI=1S/C19H20FNO4/c1-11(2)25-17-6-5-12(10-16(17)19(23)24-4)13-7-14(18(22)21-3)9-15(20)8-13/h5-11H,1-4H3,(H,21,22)
InChIKeyDEARIAMEUGNFGN-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.43
Rot. Bonds5

About methyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate

methyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate (PubChem CID 68889347) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is methyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate
PubChem CID68889347
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Namemethyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate
SMILESCNC(=O)c1cc(F)cc(-c2ccc(OC(C)C)c(C(=O)OC)c2)c1
InChIInChI=1S/C19H20FNO4/c1-11(2)25-17-6-5-12(10-16(17)19(23)24-4)13-7-14(18(22)21-3)9-15(20)8-13/h5-11H,1-4H3,(H,21,22)
InChIKeyDEARIAMEUGNFGN-UHFFFAOYSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methoxycarbonylphenyl)-5-fluorobenzoic acid
CID 53228476
4-(3-fluoro-5-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228002
methyl 2-but-3-en-2-yloxy-5-fluorobenzoate
CID 170553481
3-fluoro-5-[3-[[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamoyl]-4-propan-2-yloxyphenyl]benzoic acid
CID 68850831
dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate
CID 173255270
5-phenyl-2-propan-2-yloxybenzoic acid
CID 83969126
ethyl 5-fluoro-2-propan-2-yloxybenzoate
CID 82551429
methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate
CID 53219657
5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 60571431
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
methyl 5-fluoro-2-pent-4-en-2-yloxybenzoate
CID 118307052

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate?
The IUPAC name of methyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate (CID 68889347) is methyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate?
The canonical SMILES for methyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate is CNC(=O)c1cc(F)cc(-c2ccc(OC(C)C)c(C(=O)OC)c2)c1.
What is the InChIKey of methyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate?
The InChIKey is DEARIAMEUGNFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-11(2)25-17-6-5-12(10-16(17)19(23)24-4)13-7-14(18(22)21-3)9-15(20)8-13/h5-11H,1-4H3,(H,21,22).
What are the key properties of methyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate?
methyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate has a molecular weight of 345.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-fluoro-5-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzoate is sourced from PubChem (CID 68889347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).