N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C14H18ClFN2O — CID 106981315

IUPACN-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2c(F)cccc2Cl)CCNC1
InChIInChI=1S/C14H18ClFN2O/c1-9(2)14(6-7-17-8-14)13(19)18-12-10(15)4-3-5-11(12)16/h3-5,9,17H,6-8H2,1-2H3,(H,18,19)
InChIKeyOLNQAHOGILNTOE-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.05
Rot. Bonds3

About N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106981315) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106981315
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC NameN-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2c(F)cccc2Cl)CCNC1
InChIInChI=1S/C14H18ClFN2O/c1-9(2)14(6-7-17-8-14)13(19)18-12-10(15)4-3-5-11(12)16/h3-5,9,17H,6-8H2,1-2H3,(H,18,19)
InChIKeyOLNQAHOGILNTOE-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979908
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979641
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980027
N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979559
N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979573
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 66256845
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide
CID 106979653
1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983822

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106981315) is N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)Nc2c(F)cccc2Cl)CCNC1.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is OLNQAHOGILNTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-9(2)14(6-7-17-8-14)13(19)18-12-10(15)4-3-5-11(12)16/h3-5,9,17H,6-8H2,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 284.76 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106981315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).