methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate

C17H15FN2O4 — CID 9049144

IUPACmethyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2O4/c1-24-15(21)10-19-16(22)11-4-8-14(9-5-11)20-17(23)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyRXNLUGUTPPAVMP-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.98
Rot. Bonds5

About methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate

methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate (PubChem CID 9049144) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
PubChem CID9049144
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Namemethyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2O4/c1-24-15(21)10-19-16(22)11-4-8-14(9-5-11)20-17(23)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyRXNLUGUTPPAVMP-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

methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278
methyl 2-[[4-[(2-bromo-5-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 46611840
methyl 2-[[4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]benzoyl]amino]acetate
CID 46421581
methyl 2-[[4-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoyl]amino]acetate
CID 46636688
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate
CID 60596590
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate
CID 46569462
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
tert-butyl N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916896

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate (CID 9049144) is methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate?
The InChIKey is RXNLUGUTPPAVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-24-15(21)10-19-16(22)11-4-8-14(9-5-11)20-17(23)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate?
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate 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-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate is sourced from PubChem (CID 9049144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).