(2-fluorophenyl) 4-(carbamoylamino)benzoate

C14H11FN2O3 — CID 47098082

IUPAC(2-fluorophenyl) 4-(carbamoylamino)benzoate
SMILESNC(=O)Nc1ccc(C(=O)Oc2ccccc2F)cc1
InChIInChI=1S/C14H11FN2O3/c15-11-3-1-2-4-12(11)20-13(18)9-5-7-10(8-6-9)17-14(16)19/h1-8H,(H3,16,17,19)
InChIKeyQOYYRJKWYOAEIQ-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.54
Rot. Bonds3

About (2-fluorophenyl) 4-(carbamoylamino)benzoate

(2-fluorophenyl) 4-(carbamoylamino)benzoate (PubChem CID 47098082) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is (2-fluorophenyl) 4-(carbamoylamino)benzoate.

Molecular Properties

Compound Name(2-fluorophenyl) 4-(carbamoylamino)benzoate
PubChem CID47098082
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name(2-fluorophenyl) 4-(carbamoylamino)benzoate
SMILESNC(=O)Nc1ccc(C(=O)Oc2ccccc2F)cc1
InChIInChI=1S/C14H11FN2O3/c15-11-3-1-2-4-12(11)20-13(18)9-5-7-10(8-6-9)17-14(16)19/h1-8H,(H3,16,17,19)
InChIKeyQOYYRJKWYOAEIQ-UHFFFAOYSA-N
XLogP2.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate
CID 4804285
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(carbamoylamino)benzoate
CID 42971872
(2-hydroxyphenyl) 4-fluorobenzoate
CID 91711747
2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate
CID 42986213
(2-fluorophenyl) 2-oxopropanoate
CID 54044054
(4-methylsulfanylphenyl)methyl 4-(carbamoylamino)benzoate
CID 2528078
benzamide;phenylurea
CID 143432016
diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
CID 8961515
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate
CID 2527993
2-benzhydryloxyethyl 4-(carbamoylamino)benzoate
CID 29491093
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(carbamoylamino)benzoate
CID 2126314
(2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate
CID 2242663

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 4-(carbamoylamino)benzoate?
The IUPAC name of (2-fluorophenyl) 4-(carbamoylamino)benzoate (CID 47098082) is (2-fluorophenyl) 4-(carbamoylamino)benzoate.
What is the SMILES notation for (2-fluorophenyl) 4-(carbamoylamino)benzoate?
The canonical SMILES for (2-fluorophenyl) 4-(carbamoylamino)benzoate is NC(=O)Nc1ccc(C(=O)Oc2ccccc2F)cc1.
What is the InChIKey of (2-fluorophenyl) 4-(carbamoylamino)benzoate?
The InChIKey is QOYYRJKWYOAEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-11-3-1-2-4-12(11)20-13(18)9-5-7-10(8-6-9)17-14(16)19/h1-8H,(H3,16,17,19).
What are the key properties of (2-fluorophenyl) 4-(carbamoylamino)benzoate?
(2-fluorophenyl) 4-(carbamoylamino)benzoate has a molecular weight of 274.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 4-(carbamoylamino)benzoate is sourced from PubChem (CID 47098082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).