3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate

C20H23ClN2O2 — CID 67239997

IUPAC3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCCCc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c21-18-7-3-15(4-8-18)2-1-13-25-20(24)23-19-9-5-16(6-10-19)17-11-12-22-14-17/h3-10,17,22H,1-2,11-14H2,(H,23,24)
InChIKeyFFRNSILDSRHZLI-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.60
Rot. Bonds6

About 3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate

3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate (PubChem CID 67239997) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate.

Molecular Properties

Compound Name3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate
PubChem CID67239997
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCCCc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c21-18-7-3-15(4-8-18)2-1-13-25-20(24)23-19-9-5-16(6-10-19)17-11-12-22-14-17/h3-10,17,22H,1-2,11-14H2,(H,23,24)
InChIKeyFFRNSILDSRHZLI-UHFFFAOYSA-N
XLogP4.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Velufenacin
CID 121425461
M3R antagonist OFH244
CID 156015300
piperidin-4-ylmethyl N-[2-(4-chlorophenyl)-4-fluorophenyl]carbamate
CID 138710710
piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate
CID 138710717
(4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate
CID 67239516
2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67240050
1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67240143
(RS)-(4-pyrrolidin-3-yl-phenyl)-carbamic acid 2-(4-chloro-phenyl)-ethyl ester
CID 67240753
2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67241442
3'',5-Difluoro-
CID 117852102
Phenyl-carbamic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-ylmethyl ester
CID 11462502
piperidin-4-ylmethyl N-[2-(4-chlorophenyl)phenyl]carbamate
CID 156014558

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The IUPAC name of 3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate (CID 67239997) is 3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate.
What is the SMILES notation for 3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The canonical SMILES for 3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate is O=C(Nc1ccc(C2CCNC2)cc1)OCCCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The InChIKey is FFRNSILDSRHZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-18-7-3-15(4-8-18)2-1-13-25-20(24)23-19-9-5-16(6-10-19)17-11-12-22-14-17/h3-10,17,22H,1-2,11-14H2,(H,23,24).
What are the key properties of 3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate has a molecular weight of 358.87 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate is sourced from PubChem (CID 67239997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).