propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate

C19H17ClFNO5 — CID 3400030

IUPACpropyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate
SMILESCCCOC(=O)c1cc(NC(=O)COC(=O)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C19H17ClFNO5/c1-2-9-26-19(25)15-10-14(7-8-16(15)20)22-17(23)11-27-18(24)12-3-5-13(21)6-4-12/h3-8,10H,2,9,11H2,1H3,(H,22,23)
InChIKeyYNGDHNVBTYZSPE-UHFFFAOYSA-N
MW393.80 g/mol
LogP3.84
Rot. Bonds7

About propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate

propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate (PubChem CID 3400030) has the molecular formula C19H17ClFNO5 and a molecular weight of 393.80 g/mol. Its IUPAC name is propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate
PubChem CID3400030
Molecular FormulaC19H17ClFNO5
Molecular Weight393.80 g/mol
Exact Mass393.08
IUPAC Namepropyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate
SMILESCCCOC(=O)c1cc(NC(=O)COC(=O)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C19H17ClFNO5/c1-2-9-26-19(25)15-10-14(7-8-16(15)20)22-17(23)11-27-18(24)12-3-5-13(21)6-4-12/h3-8,10H,2,9,11H2,1H3,(H,22,23)
InChIKeyYNGDHNVBTYZSPE-UHFFFAOYSA-N
XLogP3.84
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate
CID 3531979
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 46860441
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823510
5-[[2-(4-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoic acid
CID 23887618
[2-(4-fluoroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510257
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
CID 7811220
propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 7185050
[2-(4-fluoroanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823723
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2571708
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781191

Frequently Asked Questions

What is the IUPAC name of propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate?
The IUPAC name of propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate (CID 3400030) is propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate?
The canonical SMILES for propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate is CCCOC(=O)c1cc(NC(=O)COC(=O)c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate?
The InChIKey is YNGDHNVBTYZSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO5/c1-2-9-26-19(25)15-10-14(7-8-16(15)20)22-17(23)11-27-18(24)12-3-5-13(21)6-4-12/h3-8,10H,2,9,11H2,1H3,(H,22,23).
What are the key properties of propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate?
propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate has a molecular weight of 393.80 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 3400030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).