[(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate

C19H20ClFN2O2 — CID 121425457

IUPAC[(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate
SMILESCN1CC[C@@H](COC(=O)Nc2ccccc2-c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C19H20ClFN2O2/c1-23-7-6-13(11-23)12-25-19(24)22-18-5-3-2-4-17(18)14-8-15(20)10-16(21)9-14/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeyLYSZGZVHYREDNJ-CYBMUJFWSA-N
MW362.83 g/mol
LogP4.65
Rot. Bonds4

About [(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate

[(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate (PubChem CID 121425457) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is [(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate.

Molecular Properties

Compound Name[(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate
PubChem CID121425457
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name[(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate
SMILESCN1CC[C@@H](COC(=O)Nc2ccccc2-c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C19H20ClFN2O2/c1-23-7-6-13(11-23)12-25-19(24)22-18-5-3-2-4-17(18)14-8-15(20)10-16(21)9-14/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeyLYSZGZVHYREDNJ-CYBMUJFWSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate?
The IUPAC name of [(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate (CID 121425457) is [(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate.
What is the SMILES notation for [(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate?
The canonical SMILES for [(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate is CN1CC[C@@H](COC(=O)Nc2ccccc2-c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of [(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate?
The InChIKey is LYSZGZVHYREDNJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-23-7-6-13(11-23)12-25-19(24)22-18-5-3-2-4-17(18)14-8-15(20)10-16(21)9-14/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,22,24)/t13-/m1/s1.
What are the key properties of [(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate?
[(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate has a molecular weight of 362.83 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methylpyrrolidin-3-yl]methyl N-[2-(3-chloro-5-fluorophenyl)phenyl]carbamate is sourced from PubChem (CID 121425457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).