[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate

C16H15FN2O3 — CID 108865379

IUPAC[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C16H15FN2O3/c1-11(20)22-15-7-3-6-14(9-15)19-16(21)18-10-12-4-2-5-13(17)8-12/h2-9H,10H2,1H3,(H2,18,19,21)
InChIKeyGTZLWIORLZCWLF-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.07
Rot. Bonds4

About [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate

[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate (PubChem CID 108865379) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate.

Molecular Properties

Compound Name[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate
PubChem CID108865379
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C16H15FN2O3/c1-11(20)22-15-7-3-6-14(9-15)19-16(21)18-10-12-4-2-5-13(17)8-12/h2-9H,10H2,1H3,(H2,18,19,21)
InChIKeyGTZLWIORLZCWLF-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.07
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

[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite
CID 142259796
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
[3-(2-acetamidoethylcarbamoylamino)phenyl] acetate
CID 108865308
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea
CID 108898481
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
[3-[[3-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929247
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
[3-(3-methoxypropylcarbamoylamino)phenyl] acetate
CID 108865105
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate?
The IUPAC name of [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate (CID 108865379) is [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate.
What is the SMILES notation for [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate?
The canonical SMILES for [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate is CC(=O)Oc1cccc(NC(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate?
The InChIKey is GTZLWIORLZCWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-11(20)22-15-7-3-6-14(9-15)19-16(21)18-10-12-4-2-5-13(17)8-12/h2-9H,10H2,1H3,(H2,18,19,21).
What are the key properties of [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate?
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate has a molecular weight of 302.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate is sourced from PubChem (CID 108865379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).