4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide

C19H19F2NO4 — CID 110157998

IUPAC4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide
SMILESO=C(N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O)c1ccc(F)cc1
InChIInChI=1S/C19H19F2NO4/c20-12-6-4-11(5-7-12)19(25)22-15-8-9-16(18(24)17(15)23)26-14-3-1-2-13(21)10-14/h1-7,10,15-18,23-24H,8-9H2,(H,22,25)/t15-,16-,17+,18+/m1/s1
InChIKeyNBOBNQNJRYSJBJ-BDXSIMOUSA-N
MW363.36 g/mol
LogP2.03
Rot. Bonds4

About 4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide

4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide (PubChem CID 110157998) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide
PubChem CID110157998
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide
SMILESO=C(N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O)c1ccc(F)cc1
InChIInChI=1S/C19H19F2NO4/c20-12-6-4-11(5-7-12)19(25)22-15-8-9-16(18(24)17(15)23)26-14-3-1-2-13(21)10-14/h1-7,10,15-18,23-24H,8-9H2,(H,22,25)/t15-,16-,17+,18+/m1/s1
InChIKeyNBOBNQNJRYSJBJ-BDXSIMOUSA-N
XLogP2.03
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide with MolForge

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Related Compounds

N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide
CID 155902479
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide
CID 91786162
4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
CID 110157992
6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91797334
3-[[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2-[(4-fluorophenyl)methyl-methylamino]-3-hydroxycyclopentyl]carbamoyl]benzoic acid
CID 110148132
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide
CID 155996043
trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide
CID 110128189
4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 10308998
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea
CID 110157524

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide (CID 110157998) is 4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide is O=C(N[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide?
The InChIKey is NBOBNQNJRYSJBJ-BDXSIMOUSA-N. The full InChI is InChI=1S/C19H19F2NO4/c20-12-6-4-11(5-7-12)19(25)22-15-8-9-16(18(24)17(15)23)26-14-3-1-2-13(21)10-14/h1-7,10,15-18,23-24H,8-9H2,(H,22,25)/t15-,16-,17+,18+/m1/s1.
What are the key properties of 4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide?
4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide has a molecular weight of 363.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide is sourced from PubChem (CID 110157998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).