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

C18H17FN2O4 — CID 112999954

IUPACmethyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H17FN2O4/c1-25-18(24)12-6-8-14(9-7-12)21-17(23)11-20-16(22)10-13-4-2-3-5-15(13)19/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyYTCIANLUDUWXIU-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.91
Rot. Bonds6

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

methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate (PubChem CID 112999954) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
PubChem CID112999954
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Namemethyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H17FN2O4/c1-25-18(24)12-6-8-14(9-7-12)21-17(23)11-20-16(22)10-13-4-2-3-5-15(13)19/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyYTCIANLUDUWXIU-UHFFFAOYSA-N
XLogP1.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7796353
2-(2-fluorophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997195
methyl 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999943
(2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035142
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119
N-[(2-fluorophenyl)methyl]-4-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119718423
methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate
CID 112999942
2-(2-fluorophenyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992093
methyl 4-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]benzoate
CID 9413553
methyl 4-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 26417367
N-(4-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000209

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate (CID 112999954) is methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CNC(=O)Cc2ccccc2F)cc1.
What is the InChIKey of methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate?
The InChIKey is YTCIANLUDUWXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-25-18(24)12-6-8-14(9-7-12)21-17(23)11-20-16(22)10-13-4-2-3-5-15(13)19/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate?
methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate has a molecular weight of 344.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate is sourced from PubChem (CID 112999954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).