3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide

C15H22FN3O2 — CID 66051302

IUPAC3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide
SMILESCN(C)CC1CC(O)CN1Cc1cc(C(N)=O)ccc1F
InChIInChI=1S/C15H22FN3O2/c1-18(2)8-12-6-13(20)9-19(12)7-11-5-10(15(17)21)3-4-14(11)16/h3-5,12-13,20H,6-9H2,1-2H3,(H2,17,21)
InChIKeyNLPFLRRJAQWTCJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.42
Rot. Bonds5

About 3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide

3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide (PubChem CID 66051302) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide
PubChem CID66051302
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide
SMILESCN(C)CC1CC(O)CN1Cc1cc(C(N)=O)ccc1F
InChIInChI=1S/C15H22FN3O2/c1-18(2)8-12-6-13(20)9-19(12)7-11-5-10(15(17)21)3-4-14(11)16/h3-5,12-13,20H,6-9H2,1-2H3,(H2,17,21)
InChIKeyNLPFLRRJAQWTCJ-UHFFFAOYSA-N
XLogP0.42
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 102669705
1-[(5-bromo-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051648
5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 66051669
1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 82930921
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-5-fluorobenzenecarbothioamide
CID 66054817
2-[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115462954
3-chloro-4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 102667960
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 81288888
3-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-4-fluorobenzamide
CID 113284506
1-[(3-amino-5-fluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 112646208
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 66052196
3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide
CID 103353216

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide?
The IUPAC name of 3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide (CID 66051302) is 3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide is CN(C)CC1CC(O)CN1Cc1cc(C(N)=O)ccc1F.
What is the InChIKey of 3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide?
The InChIKey is NLPFLRRJAQWTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-18(2)8-12-6-13(20)9-19(12)7-11-5-10(15(17)21)3-4-14(11)16/h3-5,12-13,20H,6-9H2,1-2H3,(H2,17,21).
What are the key properties of 3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide?
3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide has a molecular weight of 295.36 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 66051302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).