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

C19H21ClN2O2 — CID 67241442

IUPAC2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCCc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c20-17-3-1-2-14(12-17)9-11-24-19(23)22-18-6-4-15(5-7-18)16-8-10-21-13-16/h1-7,12,16,21H,8-11,13H2,(H,22,23)
InChIKeyLZJNATFYOSUYSA-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.21
Rot. Bonds5

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

2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate (PubChem CID 67241442) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
PubChem CID67241442
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCCc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c20-17-3-1-2-14(12-17)9-11-24-19(23)22-18-6-4-15(5-7-18)16-8-10-21-13-16/h1-7,12,16,21H,8-11,13H2,(H,22,23)
InChIKeyLZJNATFYOSUYSA-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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Related Compounds

2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67243293
2-[4-(trifluoromethoxy)phenyl]ethyl N-[4-[(3R)-pyrrolidin-3-yl]phenyl]carbamate
CID 175718234
2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide
CID 124566217
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride
CID 67238951
(3-chlorophenyl)methyl N-(4-aminophenyl)carbamate
CID 65126577
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate
CID 114796625
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
CID 167879678

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The IUPAC name of 2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate (CID 67241442) is 2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate.
What is the SMILES notation for 2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The canonical SMILES for 2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate is O=C(Nc1ccc(C2CCNC2)cc1)OCCc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The InChIKey is LZJNATFYOSUYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-3-1-2-14(12-17)9-11-24-19(23)22-18-6-4-15(5-7-18)16-8-10-21-13-16/h1-7,12,16,21H,8-11,13H2,(H,22,23).
What are the key properties of 2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
2-(3-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-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate is sourced from PubChem (CID 67241442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).