methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate

C16H14FNO3 — CID 10493506

IUPACmethyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(F)c1ccccc1
InChIInChI=1S/C16H14FNO3/c1-21-16(20)12-9-5-6-10-13(12)18-15(19)14(17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,19)
InChIKeyRCFOFAVEFKJZIP-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.12
Rot. Bonds4

About methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate

methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate (PubChem CID 10493506) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate
PubChem CID10493506
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Namemethyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(F)c1ccccc1
InChIInChI=1S/C16H14FNO3/c1-21-16(20)12-9-5-6-10-13(12)18-15(19)14(17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,19)
InChIKeyRCFOFAVEFKJZIP-UHFFFAOYSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[(2-amino-3,3-dimethylbutanoyl)amino]benzoate
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methyl 2-[[(2S)-2-bromobutanoyl]amino]benzoate
CID 92864132
methyl 2-(2-acetyloxypropanoylamino)benzoate
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methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate
CID 129389746
methyl 2-[[2-(2-bromopropanoylamino)benzoyl]amino]benzoate
CID 11761289
methyl 2-(2-methylpentanoylamino)benzoate
CID 2904418
methyl 2-(3-phenylprop-2-ynoylamino)benzoate
CID 6467561
methyl 2-[[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]amino]benzoate
CID 2237012
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate (CID 10493506) is methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)C(F)c1ccccc1.
What is the InChIKey of methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate?
The InChIKey is RCFOFAVEFKJZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-21-16(20)12-9-5-6-10-13(12)18-15(19)14(17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,19).
What are the key properties of methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate?
methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate has a molecular weight of 287.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 10493506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).