methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate

C18H16ClFN2O4 — CID 113000016

IUPACmethyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H16ClFN2O4/c1-26-18(25)12-4-7-14(19)15(9-12)22-17(24)10-21-16(23)8-11-2-5-13(20)6-3-11/h2-7,9H,8,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyZSIJWKMNXFLXON-UHFFFAOYSA-N
MW378.79 g/mol
LogP2.56
Rot. Bonds6

About methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate

methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate (PubChem CID 113000016) has the molecular formula C18H16ClFN2O4 and a molecular weight of 378.79 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
PubChem CID113000016
Molecular FormulaC18H16ClFN2O4
Molecular Weight378.79 g/mol
Exact Mass378.08
IUPAC Namemethyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H16ClFN2O4/c1-26-18(25)12-4-7-14(19)15(9-12)22-17(24)10-21-16(23)8-11-2-5-13(20)6-3-11/h2-7,9H,8,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyZSIJWKMNXFLXON-UHFFFAOYSA-N
XLogP2.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 3-[[2-(butanoylamino)acetyl]amino]-4-chlorobenzoate
CID 112999994
methyl 4-chloro-3-[2-(4-fluorophenyl)ethylcarbamoylamino]benzoate
CID 108989193
methyl 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999943
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
methyl 4-chloro-3-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 109000570
methyl 4-chloro-3-[[2-(2-ethylbutanoylamino)acetyl]amino]benzoate
CID 113000001
methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 113000009
methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate
CID 109010264
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001259
methyl 4-chloro-3-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 108987036
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate (CID 113000016) is methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)CNC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate?
The InChIKey is ZSIJWKMNXFLXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O4/c1-26-18(25)12-4-7-14(19)15(9-12)22-17(24)10-21-16(23)8-11-2-5-13(20)6-3-11/h2-7,9H,8,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate?
methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate has a molecular weight of 378.79 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate is sourced from PubChem (CID 113000016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).