N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide

C18H18ClFN2O — CID 18156432

IUPACN-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1F
InChIInChI=1S/C18H18ClFN2O/c19-14-6-7-17(20)16(10-14)18(23)21-15-8-9-22(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,21,23)
InChIKeyLSCTXFYPZYDWBM-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.48
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide

N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide (PubChem CID 18156432) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
PubChem CID18156432
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1F
InChIInChI=1S/C18H18ClFN2O/c19-14-6-7-17(20)16(10-14)18(23)21-15-8-9-22(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,21,23)
InChIKeyLSCTXFYPZYDWBM-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
CID 71794533
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
N-(1-benzylpyrrolidin-3-yl)-2-bromo-5-fluorobenzamide
CID 18156414
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
2,5-difluoro-N-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 69374625
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 9488683
2-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]-5-chlorobenzamide
CID 24598910
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide (CID 18156432) is N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide is O=C(NC1CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1F.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide?
The InChIKey is LSCTXFYPZYDWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c19-14-6-7-17(20)16(10-14)18(23)21-15-8-9-22(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,21,23).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide?
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide has a molecular weight of 332.81 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 18156432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).