2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate

C19H21ClN2O2 — CID 67240753

IUPAC2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c20-17-5-1-14(2-6-17)10-12-24-19(23)22-18-7-3-15(4-8-18)16-9-11-21-13-16/h1-8,16,21H,9-13H2,(H,22,23)
InChIKeyYHJSSTNTUKLGHQ-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.21
Rot. Bonds5

About 2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate

2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate (PubChem CID 67240753) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate.

Molecular Properties

Compound Name2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
PubChem CID67240753
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c20-17-5-1-14(2-6-17)10-12-24-19(23)22-18-7-3-15(4-8-18)16-9-11-21-13-16/h1-8,16,21H,9-13H2,(H,22,23)
InChIKeyYHJSSTNTUKLGHQ-UHFFFAOYSA-N
XLogP4.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The IUPAC name of 2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate (CID 67240753) is 2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate.
What is the SMILES notation for 2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The canonical SMILES for 2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate is O=C(Nc1ccc(C2CCNC2)cc1)OCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The InChIKey is YHJSSTNTUKLGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-5-1-14(2-6-17)10-12-24-19(23)22-18-7-3-15(4-8-18)16-9-11-21-13-16/h1-8,16,21H,9-13H2,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate has a molecular weight of 344.84 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate is sourced from PubChem (CID 67240753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).