methyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate

C19H20FNO3 — CID 68814938

IUPACmethyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate
SMILESCCCN(C)C(=O)c1cc(C(=O)OC)cc(-c2ccccc2F)c1
InChIInChI=1S/C19H20FNO3/c1-4-9-21(2)18(22)14-10-13(11-15(12-14)19(23)24-3)16-7-5-6-8-17(16)20/h5-8,10-12H,4,9H2,1-3H3
InChIKeyKISHWQJVCDGJJS-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.76
Rot. Bonds5

About methyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate

methyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate (PubChem CID 68814938) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is methyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate
PubChem CID68814938
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Namemethyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate
SMILESCCCN(C)C(=O)c1cc(C(=O)OC)cc(-c2ccccc2F)c1
InChIInChI=1S/C19H20FNO3/c1-4-9-21(2)18(22)14-10-13(11-15(12-14)19(23)24-3)16-7-5-6-8-17(16)20/h5-8,10-12H,4,9H2,1-3H3
InChIKeyKISHWQJVCDGJJS-UHFFFAOYSA-N
XLogP3.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate
CID 68814471
methyl 3-bromo-5-(2-hydroxyphenyl)benzoate
CID 175028755
ethyl 3-(2,2-difluoroethenyl)-5-[methyl(propyl)carbamoyl]benzoate
CID 68814519
N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
CID 78800671
methyl 3-methyl-5-(2-methylphenyl)benzoate
CID 158969225
3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056441
3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371862
ethane;methyl 3-(2-fluoro-4-methylphenyl)-5-methylbenzoate
CID 143667163
methyl 2-amino-5-(2-fluorophenyl)benzoate
CID 82572889
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate?
The IUPAC name of methyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate (CID 68814938) is methyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate?
The canonical SMILES for methyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate is CCCN(C)C(=O)c1cc(C(=O)OC)cc(-c2ccccc2F)c1.
What is the InChIKey of methyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate?
The InChIKey is KISHWQJVCDGJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-4-9-21(2)18(22)14-10-13(11-15(12-14)19(23)24-3)16-7-5-6-8-17(16)20/h5-8,10-12H,4,9H2,1-3H3.
What are the key properties of methyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate?
methyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate has a molecular weight of 329.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluorophenyl)-5-[methyl(propyl)carbamoyl]benzoate is sourced from PubChem (CID 68814938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).