N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide

C18H21FN2O — CID 11536743

IUPACN-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ccc2cc(F)ccc2c1C)[C@H]1CCNC1
InChIInChI=1S/C18H21FN2O/c1-12-15(4-3-14-9-16(19)5-6-18(12)14)11-21(13(2)22)17-7-8-20-10-17/h3-6,9,17,20H,7-8,10-11H2,1-2H3/t17-/m0/s1
InChIKeyYMZSIHDIXGVGKM-KRWDZBQOSA-N
MW300.38 g/mol
LogP3.00
Rot. Bonds3

About N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide

N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 11536743) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID11536743
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ccc2cc(F)ccc2c1C)[C@H]1CCNC1
InChIInChI=1S/C18H21FN2O/c1-12-15(4-3-14-9-16(19)5-6-18(12)14)11-21(13(2)22)17-7-8-20-10-17/h3-6,9,17,20H,7-8,10-11H2,1-2H3/t17-/m0/s1
InChIKeyYMZSIHDIXGVGKM-KRWDZBQOSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide (CID 11536743) is N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1ccc2cc(F)ccc2c1C)[C@H]1CCNC1.
What is the InChIKey of N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is YMZSIHDIXGVGKM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-12-15(4-3-14-9-16(19)5-6-18(12)14)11-21(13(2)22)17-7-8-20-10-17/h3-6,9,17,20H,7-8,10-11H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide?
N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1-methylnaphthalen-2-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 11536743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).