methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate

C17H15F2NO3 — CID 151768789

IUPACmethyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
SMILESCOC(=O)c1c(F)cc(C(=O)N[C@H](C)c2ccccc2)cc1F
InChIInChI=1S/C17H15F2NO3/c1-10(11-6-4-3-5-7-11)20-16(21)12-8-13(18)15(14(19)9-12)17(22)23-2/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyRSDSXWYIKQNWAB-SNVBAGLBSA-N
MW319.31 g/mol
LogP3.24
Rot. Bonds4

About methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate

methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate (PubChem CID 151768789) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
PubChem CID151768789
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Namemethyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
SMILESCOC(=O)c1c(F)cc(C(=O)N[C@H](C)c2ccccc2)cc1F
InChIInChI=1S/C17H15F2NO3/c1-10(11-6-4-3-5-7-11)20-16(21)12-8-13(18)15(14(19)9-12)17(22)23-2/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyRSDSXWYIKQNWAB-SNVBAGLBSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 166506945
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
methyl 4-(1-aminoethyl)-2,6-difluorobenzoate
CID 167297301
3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 39359588
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
methyl 3-methylsulfonyloxy-5-(1-phenylethylcarbamoyl)benzoate
CID 91468652
methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 59298009

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate?
The IUPAC name of methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate (CID 151768789) is methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate?
The canonical SMILES for methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate is COC(=O)c1c(F)cc(C(=O)N[C@H](C)c2ccccc2)cc1F.
What is the InChIKey of methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate?
The InChIKey is RSDSXWYIKQNWAB-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15F2NO3/c1-10(11-6-4-3-5-7-11)20-16(21)12-8-13(18)15(14(19)9-12)17(22)23-2/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1.
What are the key properties of methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate?
methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate has a molecular weight of 319.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate is sourced from PubChem (CID 151768789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).