benzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate

C19H19ClN2O3 — CID 4286055

IUPACbenzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccccc1Cl)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H19ClN2O3/c20-15-9-4-5-10-16(15)21-18(23)17-11-6-12-22(17)19(24)25-13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,21,23)
InChIKeyIGUBYNHTBUMIOM-UHFFFAOYSA-N
MW358.82 g/mol
LogP4.08
Rot. Bonds4

About benzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 4286055) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.82 g/mol. Its IUPAC name is benzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID4286055
Molecular FormulaC19H19ClN2O3
Molecular Weight358.82 g/mol
Exact Mass358.11
IUPAC Namebenzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccccc1Cl)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H19ClN2O3/c20-15-9-4-5-10-16(15)21-18(23)17-11-6-12-22(17)19(24)25-13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,21,23)
InChIKeyIGUBYNHTBUMIOM-UHFFFAOYSA-N
XLogP4.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 4286055) is benzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate is O=C(Nc1ccccc1Cl)C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is IGUBYNHTBUMIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-15-9-4-5-10-16(15)21-18(23)17-11-6-12-22(17)19(24)25-13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,21,23).
What are the key properties of benzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 358.82 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 4286055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).