butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate

C18H19FN2O3 — CID 11624073

IUPACbutyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3/c1-2-3-12-24-17(22)13-4-8-15(9-5-13)20-18(23)21-16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H2,20,21,23)
InChIKeyRQWWFAOIIYPQOC-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.43
Rot. Bonds6

About butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate

butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate (PubChem CID 11624073) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namebutyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
PubChem CID11624073
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Namebutyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3/c1-2-3-12-24-17(22)13-4-8-15(9-5-13)20-18(23)21-16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H2,20,21,23)
InChIKeyRQWWFAOIIYPQOC-UHFFFAOYSA-N
XLogP4.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-[(2,4-difluorophenyl)carbamoylamino]benzoate
CID 46859665
butyl 4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]benzoate
CID 7228837
butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate
CID 46763449
butyl 4-[(2,4-difluorobenzoyl)amino]benzoate
CID 7760837
butyl 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 46920237
butyl 4-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 4219345
3-(butylamino)propyl 4-fluorobenzoate
CID 82532339
methyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
CID 2402760
butyl 4-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 7548244
butyl 4-[[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]benzoate
CID 7767166
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
butyl 4-(decanoylamino)benzoate
CID 3404776

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate?
The IUPAC name of butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate (CID 11624073) is butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate.
What is the SMILES notation for butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate?
The canonical SMILES for butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate is CCCCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate?
The InChIKey is RQWWFAOIIYPQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-3-12-24-17(22)13-4-8-15(9-5-13)20-18(23)21-16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H2,20,21,23).
What are the key properties of butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate?
butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate has a molecular weight of 330.36 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 11624073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).