4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide

C13H14F4N2O2 — CID 120947929

IUPAC4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC1CNCC1O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F4N2O2/c14-10-2-1-7(3-9(10)13(15,16)17)12(21)19-5-8-4-18-6-11(8)20/h1-3,8,11,18,20H,4-6H2,(H,19,21)
InChIKeyLFLJXYIBHYGCBW-UHFFFAOYSA-N
MW306.26 g/mol
LogP1.15
Rot. Bonds3

About 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide

4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 120947929) has the molecular formula C13H14F4N2O2 and a molecular weight of 306.26 g/mol. Its IUPAC name is 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID120947929
Molecular FormulaC13H14F4N2O2
Molecular Weight306.26 g/mol
Exact Mass306.10
IUPAC Name4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC1CNCC1O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F4N2O2/c14-10-2-1-7(3-9(10)13(15,16)17)12(21)19-5-8-4-18-6-11(8)20/h1-3,8,11,18,20H,4-6H2,(H,19,21)
InChIKeyLFLJXYIBHYGCBW-UHFFFAOYSA-N
XLogP1.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride
CID 66775853
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 120943236
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide
CID 120947477
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409
2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944182
4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride
CID 120945283

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide (CID 120947929) is 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide is O=C(NCC1CNCC1O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LFLJXYIBHYGCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O2/c14-10-2-1-7(3-9(10)13(15,16)17)12(21)19-5-8-4-18-6-11(8)20/h1-3,8,11,18,20H,4-6H2,(H,19,21).
What are the key properties of 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide?
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 306.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 120947929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).