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

C17H15FN2O4 — CID 4999273

IUPACmethyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O4/c1-24-17(23)13-4-2-3-5-14(13)20-15(21)10-19-16(22)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyVAFIADITHFGYFM-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.98
Rot. Bonds5

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

methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate (PubChem CID 4999273) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
PubChem CID4999273
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Namemethyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O4/c1-24-17(23)13-4-2-3-5-14(13)20-15(21)10-19-16(22)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyVAFIADITHFGYFM-UHFFFAOYSA-N
XLogP1.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 7878232
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
CID 112999796
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 2390831
methyl 2-[4-(4-fluorophenyl)butanoylamino]benzoate
CID 110356101
methyl 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37472105
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211846

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate (CID 4999273) is methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate?
The InChIKey is VAFIADITHFGYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-24-17(23)13-4-2-3-5-14(13)20-15(21)10-19-16(22)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate?
methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate has a molecular weight of 330.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 4999273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).