[2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate

C17H15ClN2O4 — CID 32958673

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
SMILESNC(=O)NCc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O4/c18-14-7-5-12(6-8-14)15(21)10-24-16(22)13-3-1-11(2-4-13)9-20-17(19)23/h1-8H,9-10H2,(H3,19,20,23)
InChIKeyIMCLCNLHFJRZTQ-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.55
Rot. Bonds6

About [2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate

[2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate (PubChem CID 32958673) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
PubChem CID32958673
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
SMILESNC(=O)NCc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O4/c18-14-7-5-12(6-8-14)15(21)10-24-16(22)13-3-1-11(2-4-13)9-20-17(19)23/h1-8H,9-10H2,(H3,19,20,23)
InChIKeyIMCLCNLHFJRZTQ-UHFFFAOYSA-N
XLogP2.55
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate (CID 32958673) is [2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate is NC(=O)NCc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate?
The InChIKey is IMCLCNLHFJRZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c18-14-7-5-12(6-8-14)15(21)10-24-16(22)13-3-1-11(2-4-13)9-20-17(19)23/h1-8H,9-10H2,(H3,19,20,23).
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate?
[2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate has a molecular weight of 346.77 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate is sourced from PubChem (CID 32958673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).