2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide

C21H24F2N2O4 — CID 110157956

IUPAC2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide
SMILESCN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccccc1F
InChIInChI=1S/C21H24F2N2O4/c1-25(9-10-26)19-17(24-21(28)15-7-2-3-8-16(15)23)12-18(20(19)27)29-14-6-4-5-13(22)11-14/h2-8,11,17-20,26-27H,9-10,12H2,1H3,(H,24,28)/t17-,18-,19+,20+/m1/s1
InChIKeyRJMQYLHPNYLYTO-ZRNYENFQSA-N
MW406.43 g/mol
LogP1.57
Rot. Bonds7

About 2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide

2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide (PubChem CID 110157956) has the molecular formula C21H24F2N2O4 and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide
PubChem CID110157956
Molecular FormulaC21H24F2N2O4
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC Name2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide
SMILESCN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccccc1F
InChIInChI=1S/C21H24F2N2O4/c1-25(9-10-26)19-17(24-21(28)15-7-2-3-8-16(15)23)12-18(20(19)27)29-14-6-4-5-13(22)11-14/h2-8,11,17-20,26-27H,9-10,12H2,1H3,(H,24,28)/t17-,18-,19+,20+/m1/s1
InChIKeyRJMQYLHPNYLYTO-ZRNYENFQSA-N
XLogP1.57
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide with MolForge

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Related Compounds

4-Fluoro-N-{2-[4-(2-hydroxy-3-phenoxy-propyl)-piperazin-1-yl]-2-phenyl-ethyl}-benzamide
CID 10435152
4-Fluoro-N-(2-{4-[2-hydroxy-3-(4-methoxy-phenoxy)-propyl]-piperazin-1-yl}-2-phenyl-ethyl)-benzamide
CID 44304149
N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide
CID 122194675
N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide
CID 26742207
N-[(1R,5R,6R)-3-[[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-3-fluorobenzamide
CID 7049282
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide
CID 13030857
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]benzamide;hydrochloride
CID 13030858
3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
CID 54643885
3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]oxan-3-yl]benzamide
CID 54643931
(3S,4S,5R)-5-[(4-fluorophenyl)methylamino]-4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)cyclohexene-1-carboxamide
CID 6717315
Benzamide, N-butyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-
CID 33927
Benzamide, N-cyclohexyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-
CID 42380

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide (CID 110157956) is 2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide is CN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide?
The InChIKey is RJMQYLHPNYLYTO-ZRNYENFQSA-N. The full InChI is InChI=1S/C21H24F2N2O4/c1-25(9-10-26)19-17(24-21(28)15-7-2-3-8-16(15)23)12-18(20(19)27)29-14-6-4-5-13(22)11-14/h2-8,11,17-20,26-27H,9-10,12H2,1H3,(H,24,28)/t17-,18-,19+,20+/m1/s1.
What are the key properties of 2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide?
2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide has a molecular weight of 406.43 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-[2-hydroxyethyl(methyl)amino]cyclopentyl]benzamide is sourced from PubChem (CID 110157956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).