4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide

C16H16FN3O3 — CID 58417486

IUPAC4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
SMILESCC(NC(=O)Nc1ccccc1F)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H16FN3O3/c1-10(11-6-8-12(9-7-11)15(21)20-23)18-16(22)19-14-5-3-2-4-13(14)17/h2-10,23H,1H3,(H,20,21)(H2,18,19,22)
InChIKeyORITYOMYNNENPC-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.83
Rot. Bonds4

About 4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide

4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide (PubChem CID 58417486) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
PubChem CID58417486
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
SMILESCC(NC(=O)Nc1ccccc1F)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H16FN3O3/c1-10(11-6-8-12(9-7-11)15(21)20-23)18-16(22)19-14-5-3-2-4-13(14)17/h2-10,23H,1H3,(H,20,21)(H2,18,19,22)
InChIKeyORITYOMYNNENPC-UHFFFAOYSA-N
XLogP2.83
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298075
1-[1-(3-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298097
1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108866821
N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
CID 76779917
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180579
1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 86856228
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 47032089
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
N-hydroxy-4-[1-[[2-(2-methylsulfanylphenyl)acetyl]amino]ethyl]benzamide
CID 123886704
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide?
The IUPAC name of 4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide (CID 58417486) is 4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide is CC(NC(=O)Nc1ccccc1F)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide?
The InChIKey is ORITYOMYNNENPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-10(11-6-8-12(9-7-11)15(21)20-23)18-16(22)19-14-5-3-2-4-13(14)17/h2-10,23H,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide?
4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide has a molecular weight of 317.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide is sourced from PubChem (CID 58417486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).