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

C17H15FN2O4 — CID 112999938

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

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

methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate (PubChem CID 112999938) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
PubChem CID112999938
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Namemethyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2O4/c1-24-17(23)12-4-8-14(9-5-12)20-15(21)10-19-16(22)11-2-6-13(18)7-3-11/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyLQYNMWPZSXBNQQ-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 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999943
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
methyl 4-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]benzoate
CID 9413553
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 4999273
methyl 4-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 44999647
methyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
CID 2402760
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999954

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate (CID 112999938) is methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate?
The InChIKey is LQYNMWPZSXBNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-24-17(23)12-4-8-14(9-5-12)20-15(21)10-19-16(22)11-2-6-13(18)7-3-11/h2-9H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate?
methyl 4-[[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 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 112999938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).