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

C16H22ClFN2O — CID 106980027

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(C)Cc2c(F)cccc2Cl)CCNC1
InChIInChI=1S/C16H22ClFN2O/c1-11(2)16(7-8-19-10-16)15(21)20(3)9-12-13(17)5-4-6-14(12)18/h4-6,11,19H,7-10H2,1-3H3
InChIKeyKZWWMYXYYKDAAT-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.07
Rot. Bonds4

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

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980027) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980027
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(C)Cc2c(F)cccc2Cl)CCNC1
InChIInChI=1S/C16H22ClFN2O/c1-11(2)16(7-8-19-10-16)15(21)20(3)9-12-13(17)5-4-6-14(12)18/h4-6,11,19H,7-10H2,1-3H3
InChIKeyKZWWMYXYYKDAAT-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63140449
N-[(3,4-difluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980069
N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981315
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119267724
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119682888
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979778
N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979682
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119682901
N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide
CID 106980739
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980027) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)N(C)Cc2c(F)cccc2Cl)CCNC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is KZWWMYXYYKDAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-11(2)16(7-8-19-10-16)15(21)20(3)9-12-13(17)5-4-6-14(12)18/h4-6,11,19H,7-10H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 312.82 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).