ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate

C18H26FNO3 — CID 163254624

IUPACethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate
SMILESCCOC(=O)CCCCCCN(CC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H26FNO3/c1-3-20(18(22)15-10-12-16(19)13-11-15)14-8-6-5-7-9-17(21)23-4-2/h10-13H,3-9,14H2,1-2H3
InChIKeyZAZVXJLWAIHGAO-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.80
Rot. Bonds10

About ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate

ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate (PubChem CID 163254624) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate.

Molecular Properties

Compound Nameethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate
PubChem CID163254624
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Nameethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate
SMILESCCOC(=O)CCCCCCN(CC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H26FNO3/c1-3-20(18(22)15-10-12-16(19)13-11-15)14-8-6-5-7-9-17(21)23-4-2/h10-13H,3-9,14H2,1-2H3
InChIKeyZAZVXJLWAIHGAO-UHFFFAOYSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 61006685
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133
N-(2-amino-2-oxoethyl)-N-ethyl-4-fluorobenzamide
CID 103101753
ethyl 6-[(2,4-difluorophenyl)methyl-ethylamino]-6-oxohexanoate
CID 19986498
ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate
CID 151612453
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642
ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate
CID 90133993
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
diethyl icosanedioate
CID 5058538
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
ethyl 7-(dimethylamino)heptanoate
CID 170069476
ethyl 7-(4-methylphenyl)-7-oxoheptanoate
CID 24727327

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate?
The IUPAC name of ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate (CID 163254624) is ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate.
What is the SMILES notation for ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate?
The canonical SMILES for ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate is CCOC(=O)CCCCCCN(CC)C(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate?
The InChIKey is ZAZVXJLWAIHGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-3-20(18(22)15-10-12-16(19)13-11-15)14-8-6-5-7-9-17(21)23-4-2/h10-13H,3-9,14H2,1-2H3.
What are the key properties of ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate?
ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate has a molecular weight of 323.41 g/mol, XLogP of 3.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate is sourced from PubChem (CID 163254624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).