2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide

C20H23FN2O2 — CID 75501739

IUPAC2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCCC1CO)c1ccccc1F
InChIInChI=1S/C20H23FN2O2/c21-19-10-4-3-9-18(19)20(25)22-12-15-6-1-2-7-16(15)13-23-11-5-8-17(23)14-24/h1-4,6-7,9-10,17,24H,5,8,11-14H2,(H,22,25)
InChIKeyHBZFWXCPAMHMOQ-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.71
Rot. Bonds6

About 2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide

2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide (PubChem CID 75501739) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide
PubChem CID75501739
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCCC1CO)c1ccccc1F
InChIInChI=1S/C20H23FN2O2/c21-19-10-4-3-9-18(19)20(25)22-12-15-6-1-2-7-16(15)13-23-11-5-8-17(23)14-24/h1-4,6-7,9-10,17,24H,5,8,11-14H2,(H,22,25)
InChIKeyHBZFWXCPAMHMOQ-UHFFFAOYSA-N
XLogP2.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide
CID 97349470
(E)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylbut-2-enamide
CID 132970854
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 75453940
(3S)-N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 129445770
2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 43421664
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 75453143
1-[6-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methylamino]-3-pyridinyl]ethanone
CID 102563271
1-[6-[[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methylamino]-3-pyridinyl]ethanone
CID 99798306
[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 114933196

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide (CID 75501739) is 2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide is O=C(NCc1ccccc1CN1CCCC1CO)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide?
The InChIKey is HBZFWXCPAMHMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-19-10-4-3-9-18(19)20(25)22-12-15-6-1-2-7-16(15)13-23-11-5-8-17(23)14-24/h1-4,6-7,9-10,17,24H,5,8,11-14H2,(H,22,25).
What are the key properties of 2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide?
2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 75501739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).