methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate

C16H14FNO3 — CID 798726

IUPACmethyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c1-21-16(20)13-4-2-3-5-14(13)18-15(19)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,18,19)
InChIKeyCYKXEAPECUGLEE-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.79
Rot. Bonds4

About methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate

methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate (PubChem CID 798726) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
PubChem CID798726
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Namemethyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c1-21-16(20)13-4-2-3-5-14(13)18-15(19)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,18,19)
InChIKeyCYKXEAPECUGLEE-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
methyl 2-[4-(4-fluorophenyl)butanoylamino]benzoate
CID 110356101
methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 4999273
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8904985
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate
CID 35727693
methyl 2-[[2-[4-(4-propan-2-yloxyphenoxy)phenyl]acetyl]amino]benzoate
CID 54475401
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate
CID 11450246
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
CID 797161
(4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate
CID 122367483
methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 2390831

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate (CID 798726) is methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate?
The InChIKey is CYKXEAPECUGLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-21-16(20)13-4-2-3-5-14(13)18-15(19)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate?
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate has a molecular weight of 287.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate is sourced from PubChem (CID 798726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).