5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide

C19H18F4N2O2 — CID 120943802

IUPAC5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NCC1CNCC1O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F4N2O2/c20-14-4-5-15(11-2-1-3-13(6-11)19(21,22)23)16(7-14)18(27)25-9-12-8-24-10-17(12)26/h1-7,12,17,24,26H,8-10H2,(H,25,27)
InChIKeyATJQPDZRRFOBQQ-UHFFFAOYSA-N
MW382.36 g/mol
LogP2.82
Rot. Bonds4

About 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide

5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 120943802) has the molecular formula C19H18F4N2O2 and a molecular weight of 382.36 g/mol. Its IUPAC name is 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID120943802
Molecular FormulaC19H18F4N2O2
Molecular Weight382.36 g/mol
Exact Mass382.13
IUPAC Name5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NCC1CNCC1O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F4N2O2/c20-14-4-5-15(11-2-1-3-13(6-11)19(21,22)23)16(7-14)18(27)25-9-12-8-24-10-17(12)26/h1-7,12,17,24,26H,8-10H2,(H,25,27)
InChIKeyATJQPDZRRFOBQQ-UHFFFAOYSA-N
XLogP2.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 119429718
N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 119504852
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]methanone;hydrochloride
CID 120658295
5-cyclopropyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120944942
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 120947569
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-prop-2-enoxy-5-(trifluoromethyl)benzamide
CID 120944774
5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide
CID 112834460
5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide
CID 112834568
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-prop-2-enoxy-5-(trifluoromethyl)benzamide;hydrochloride
CID 120944773

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide (CID 120943802) is 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide is O=C(NCC1CNCC1O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ATJQPDZRRFOBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O2/c20-14-4-5-15(11-2-1-3-13(6-11)19(21,22)23)16(7-14)18(27)25-9-12-8-24-10-17(12)26/h1-7,12,17,24,26H,8-10H2,(H,25,27).
What are the key properties of 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide?
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 382.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 120943802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).