nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate

C23H28FNO3 — CID 91740457

IUPACnonyl 3-[(2-fluorophenyl)carbamoyl]benzoate
SMILESCCCCCCCCCOC(=O)c1cccc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C23H28FNO3/c1-2-3-4-5-6-7-10-16-28-23(27)19-13-11-12-18(17-19)22(26)25-21-15-9-8-14-20(21)24/h8-9,11-15,17H,2-7,10,16H2,1H3,(H,25,26)
InChIKeyULTQPKRGBQCOTM-UHFFFAOYSA-N
MW385.48 g/mol
LogP5.99
Rot. Bonds11

About nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate

nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate (PubChem CID 91740457) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namenonyl 3-[(2-fluorophenyl)carbamoyl]benzoate
PubChem CID91740457
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Namenonyl 3-[(2-fluorophenyl)carbamoyl]benzoate
SMILESCCCCCCCCCOC(=O)c1cccc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C23H28FNO3/c1-2-3-4-5-6-7-10-16-28-23(27)19-13-11-12-18(17-19)22(26)25-21-15-9-8-14-20(21)24/h8-9,11-15,17H,2-7,10,16H2,1H3,(H,25,26)
InChIKeyULTQPKRGBQCOTM-UHFFFAOYSA-N
XLogP5.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.48
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexyl 3-[(2-chlorophenyl)carbamoyl]benzoate
CID 91737156
ditetradecyl benzene-1,3-dicarboxylate
CID 102084318
3-O-(2-fluorophenyl) 1-O-undecyl benzene-1,3-dicarboxylate
CID 91741770
3-O-(2-fluorophenyl) 1-O-hexyl benzene-1,3-dicarboxylate
CID 91737102
3-O-(2-methoxyethyl) 1-O-octyl benzene-1,3-dicarboxylate
CID 91693919
3-O-octyl 1-O-propyl benzene-1,3-dicarboxylate
CID 91734111
butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate
CID 108786656
heptadecyl 3-fluorobenzoate
CID 588123
3-O-(2-methoxyethyl) 1-O-pentyl benzene-1,3-dicarboxylate
CID 91693964
3-O-decyl 1-O-ethyl benzene-1,3-dicarboxylate
CID 525144
octadecyl 2-(2-fluoroanilino)-2-oxoacetate
CID 6422180
dioctyl benzene-1,3-dicarboxylate;phthalic acid
CID 161370491

Frequently Asked Questions

What is the IUPAC name of nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate?
The IUPAC name of nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate (CID 91740457) is nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate.
What is the SMILES notation for nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate?
The canonical SMILES for nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate is CCCCCCCCCOC(=O)c1cccc(C(=O)Nc2ccccc2F)c1.
What is the InChIKey of nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate?
The InChIKey is ULTQPKRGBQCOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-2-3-4-5-6-7-10-16-28-23(27)19-13-11-12-18(17-19)22(26)25-21-15-9-8-14-20(21)24/h8-9,11-15,17H,2-7,10,16H2,1H3,(H,25,26).
What are the key properties of nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate?
nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate has a molecular weight of 385.48 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 3-[(2-fluorophenyl)carbamoyl]benzoate is sourced from PubChem (CID 91740457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).