N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide

C20H20ClFN2O5 — CID 118652144

IUPACN-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide
SMILESO=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O)c1ccccc1F
InChIInChI=1S/C20H20ClFN2O5/c21-14-7-3-1-5-12(14)18(26)23-9-16-17(25)20(28,11-29-16)10-24-19(27)13-6-2-4-8-15(13)22/h1-8,16-17,25,28H,9-11H2,(H,23,26)(H,24,27)/t16-,17-,20+/m1/s1
InChIKeyILWIKRICONEPQO-HLIPFELVSA-N
MW422.84 g/mol
LogP1.13
Rot. Bonds6

About N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide

N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide (PubChem CID 118652144) has the molecular formula C20H20ClFN2O5 and a molecular weight of 422.84 g/mol. Its IUPAC name is N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide
PubChem CID118652144
Molecular FormulaC20H20ClFN2O5
Molecular Weight422.84 g/mol
Exact Mass422.10
IUPAC NameN-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide
SMILESO=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O)c1ccccc1F
InChIInChI=1S/C20H20ClFN2O5/c21-14-7-3-1-5-12(14)18(26)23-9-16-17(25)20(28,11-29-16)10-24-19(27)13-6-2-4-8-15(13)22/h1-8,16-17,25,28H,9-11H2,(H,23,26)(H,24,27)/t16-,17-,20+/m1/s1
InChIKeyILWIKRICONEPQO-HLIPFELVSA-N
XLogP1.13
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide with MolForge

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Related Compounds

N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chlorobenzamide
CID 118652045
2-chloro-N-[[(3S,4R,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
CID 137649380
4-chloro-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168283252
2-chloro-N-{3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]propyl}benzamide
CID 3411281
N-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
CID 118652074
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-iodobenzamide
CID 118652154
2-chloro-N-[[(2R,3R,4S)-4-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 118652222
N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide
CID 134416891
N-[[(2R,3S,4R,5S)-5-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chlorobenzamide
CID 134417182
N-[[(2R,3R,4S)-4-(azidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chlorobenzamide
CID 137643698
N-[[(3S,4R,5R)-5-(benzamidomethyl)-3,4-dihydroxyoxolan-3-yl]methyl]-2-chlorobenzamide
CID 137646607
2-chloro-N-[[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 137649353

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide (CID 118652144) is N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide is O=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O)c1ccccc1F.
What is the InChIKey of N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide?
The InChIKey is ILWIKRICONEPQO-HLIPFELVSA-N. The full InChI is InChI=1S/C20H20ClFN2O5/c21-14-7-3-1-5-12(14)18(26)23-9-16-17(25)20(28,11-29-16)10-24-19(27)13-6-2-4-8-15(13)22/h1-8,16-17,25,28H,9-11H2,(H,23,26)(H,24,27)/t16-,17-,20+/m1/s1.
What are the key properties of N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide?
N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide has a molecular weight of 422.84 g/mol, XLogP of 1.13, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R,5R)-5-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 118652144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).