1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate

C19H21ClN2O2 — CID 67240143

IUPAC1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESCC(OC(=O)Nc1ccc(C2CCNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(14-2-6-17(20)7-3-14)24-19(23)22-18-8-4-15(5-9-18)16-10-11-21-12-16/h2-9,13,16,21H,10-12H2,1H3,(H,22,23)
InChIKeyJYGHXVRFZTUPFO-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.73
Rot. Bonds4

About 1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate

1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate (PubChem CID 67240143) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate.

Molecular Properties

Compound Name1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
PubChem CID67240143
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESCC(OC(=O)Nc1ccc(C2CCNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(14-2-6-17(20)7-3-14)24-19(23)22-18-8-4-15(5-9-18)16-10-11-21-12-16/h2-9,13,16,21H,10-12H2,1H3,(H,22,23)
InChIKeyJYGHXVRFZTUPFO-UHFFFAOYSA-N
XLogP4.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The IUPAC name of 1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate (CID 67240143) is 1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate.
What is the SMILES notation for 1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The canonical SMILES for 1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate is CC(OC(=O)Nc1ccc(C2CCNC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The InChIKey is JYGHXVRFZTUPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13(14-2-6-17(20)7-3-14)24-19(23)22-18-8-4-15(5-9-18)16-10-11-21-12-16/h2-9,13,16,21H,10-12H2,1H3,(H,22,23).
What are the key properties of 1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate has a molecular weight of 344.84 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate is sourced from PubChem (CID 67240143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).