ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate

C18H16ClFN2O4 — CID 113000785

IUPACethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H16ClFN2O4/c1-2-26-18(25)11-6-8-12(9-7-11)22-15(23)10-21-17(24)16-13(19)4-3-5-14(16)20/h3-9H,2,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyXAXOSZAGXNZJLO-UHFFFAOYSA-N
MW378.79 g/mol
LogP3.02
Rot. Bonds6

About ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate

ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate (PubChem CID 113000785) has the molecular formula C18H16ClFN2O4 and a molecular weight of 378.79 g/mol. Its IUPAC name is ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate
PubChem CID113000785
Molecular FormulaC18H16ClFN2O4
Molecular Weight378.79 g/mol
Exact Mass378.08
IUPAC Nameethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H16ClFN2O4/c1-2-26-18(25)11-6-8-12(9-7-11)22-15(23)10-21-17(24)16-13(19)4-3-5-14(16)20/h3-9H,2,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyXAXOSZAGXNZJLO-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999524
N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999678
ethyl 4-[[2-[[5-[(2-chloro-6-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 4521815
methyl 4-[4-[(2-chloro-6-fluorobenzoyl)amino]anilino]benzoate
CID 112988576
ethyl 4-[[2-[[4-(4-bromophenyl)-5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 44912151
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 112996056
ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 113000796
2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide
CID 112997013
ethyl 4-[[3-(3-chloro-2-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108955120
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate
CID 7820383
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate (CID 113000785) is ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CNC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate?
The InChIKey is XAXOSZAGXNZJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O4/c1-2-26-18(25)11-6-8-12(9-7-11)22-15(23)10-21-17(24)16-13(19)4-3-5-14(16)20/h3-9H,2,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate?
ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate has a molecular weight of 378.79 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 113000785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).