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

C15H13BrN2O3 — CID 108865321

IUPAC[3-[(2-bromophenyl)carbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C15H13BrN2O3/c1-10(19)21-12-6-4-5-11(9-12)17-15(20)18-14-8-3-2-7-13(14)16/h2-9H,1H3,(H2,17,18,20)
InChIKeySKTMDJPJHXBXEI-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.02
Rot. Bonds3

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

[3-[(2-bromophenyl)carbamoylamino]phenyl] acetate (PubChem CID 108865321) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is [3-[(2-bromophenyl)carbamoylamino]phenyl] acetate.

Molecular Properties

Compound Name[3-[(2-bromophenyl)carbamoylamino]phenyl] acetate
PubChem CID108865321
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name[3-[(2-bromophenyl)carbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C15H13BrN2O3/c1-10(19)21-12-6-4-5-11(9-12)17-15(20)18-14-8-3-2-7-13(14)16/h2-9H,1H3,(H2,17,18,20)
InChIKeySKTMDJPJHXBXEI-UHFFFAOYSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.02
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-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate
CID 108865153
[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
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
[3-(2-acetamidoethylcarbamoylamino)phenyl] acetate
CID 108865308
[3-[(2,2-diphenylacetyl)amino]phenyl] acetate
CID 1252597
[3-[(2-chlorophenyl)carbamoylamino]phenyl] N-methylcarbamate
CID 134123011

Frequently Asked Questions

What is the IUPAC name of [3-[(2-bromophenyl)carbamoylamino]phenyl] acetate?
The IUPAC name of [3-[(2-bromophenyl)carbamoylamino]phenyl] acetate (CID 108865321) is [3-[(2-bromophenyl)carbamoylamino]phenyl] acetate.
What is the SMILES notation for [3-[(2-bromophenyl)carbamoylamino]phenyl] acetate?
The canonical SMILES for [3-[(2-bromophenyl)carbamoylamino]phenyl] acetate is CC(=O)Oc1cccc(NC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of [3-[(2-bromophenyl)carbamoylamino]phenyl] acetate?
The InChIKey is SKTMDJPJHXBXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-10(19)21-12-6-4-5-11(9-12)17-15(20)18-14-8-3-2-7-13(14)16/h2-9H,1H3,(H2,17,18,20).
What are the key properties of [3-[(2-bromophenyl)carbamoylamino]phenyl] acetate?
[3-[(2-bromophenyl)carbamoylamino]phenyl] acetate has a molecular weight of 349.18 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-bromophenyl)carbamoylamino]phenyl] acetate is sourced from PubChem (CID 108865321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).