[3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate

C15H14N2O4 — CID 108865153

IUPAC[3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)Nc2ccccc2O)c1
InChIInChI=1S/C15H14N2O4/c1-10(18)21-12-6-4-5-11(9-12)16-15(20)17-13-7-2-3-8-14(13)19/h2-9,19H,1H3,(H2,16,17,20)
InChIKeyPBROBYFOSMFLSQ-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.96
Rot. Bonds3

About [3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate

[3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate (PubChem CID 108865153) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is [3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate.

Molecular Properties

Compound Name[3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate
PubChem CID108865153
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name[3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)Nc2ccccc2O)c1
InChIInChI=1S/C15H14N2O4/c1-10(18)21-12-6-4-5-11(9-12)16-15(20)17-13-7-2-3-8-14(13)19/h2-9,19H,1H3,(H2,16,17,20)
InChIKeyPBROBYFOSMFLSQ-UHFFFAOYSA-N
XLogP2.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[(2-bromophenyl)carbamoylamino]phenyl] acetate
CID 108865321
[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl] acetate
CID 108865068
[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865140
[3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate
CID 108865160
[3-(pyrimidin-2-ylcarbamoylamino)phenyl] acetate
CID 108865196
[3-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865332
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154
[3-(benzhydrylcarbamoylamino)phenyl] acetate
CID 108865115
[3-[(2,2-diphenylacetyl)amino]phenyl] acetate
CID 1252597
[3-(2-acetamidoethylcarbamoylamino)phenyl] acetate
CID 108865308
1-[3-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 108871519
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 69014425

Frequently Asked Questions

What is the IUPAC name of [3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate?
The IUPAC name of [3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate (CID 108865153) is [3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate.
What is the SMILES notation for [3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate?
The canonical SMILES for [3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate is CC(=O)Oc1cccc(NC(=O)Nc2ccccc2O)c1.
What is the InChIKey of [3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate?
The InChIKey is PBROBYFOSMFLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10(18)21-12-6-4-5-11(9-12)16-15(20)17-13-7-2-3-8-14(13)19/h2-9,19H,1H3,(H2,16,17,20).
What are the key properties of [3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate?
[3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate has a molecular weight of 286.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate is sourced from PubChem (CID 108865153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).