[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate

C17H17ClN2O4 — CID 108865473

IUPAC[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O4/c1-2-23-17(22)24-14-9-7-13(8-10-14)20-16(21)19-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H2,19,20,21)
InChIKeyPBDHPOZEHMNPGV-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.20
Rot. Bonds5

About [4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate

[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate (PubChem CID 108865473) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
PubChem CID108865473
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O4/c1-2-23-17(22)24-14-9-7-13(8-10-14)20-16(21)19-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H2,19,20,21)
InChIKeyPBDHPOZEHMNPGV-UHFFFAOYSA-N
XLogP4.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
CID 108865684
ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
CID 47039627
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate
CID 108865434
1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea
CID 47033294
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
[4-[[4-[3-(2-chlorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108930688
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
[4-[[4-[3-(2-chlorophenyl)propanoylamino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931397
1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3868161
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865660

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate?
The IUPAC name of [4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate (CID 108865473) is [4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate?
The canonical SMILES for [4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(NC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of [4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate?
The InChIKey is PBDHPOZEHMNPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-2-23-17(22)24-14-9-7-13(8-10-14)20-16(21)19-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H2,19,20,21).
What are the key properties of [4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate?
[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate has a molecular weight of 348.79 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate is sourced from PubChem (CID 108865473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).