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

C20H21FN2O5 — CID 40777966

IUPACN-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide
SMILESO=C(C[C@@H]1O[C@H](CNC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1O)Nc1ccccc1
InChIInChI=1S/C20H21FN2O5/c21-13-6-4-5-12(9-13)20(27)22-11-16-19(26)18(25)15(28-16)10-17(24)23-14-7-2-1-3-8-14/h1-9,15-16,18-19,25-26H,10-11H2,(H,22,27)(H,23,24)/t15-,16+,18-,19+/m0/s1
InChIKeyJQFIMEGFYUKGOY-OGWHTMIXSA-N
MW388.40 g/mol
LogP1.07
Rot. Bonds6

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

N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide (PubChem CID 40777966) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide
PubChem CID40777966
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC NameN-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide
SMILESO=C(C[C@@H]1O[C@H](CNC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1O)Nc1ccccc1
InChIInChI=1S/C20H21FN2O5/c21-13-6-4-5-12(9-13)20(27)22-11-16-19(26)18(25)15(28-16)10-17(24)23-14-7-2-1-3-8-14/h1-9,15-16,18-19,25-26H,10-11H2,(H,22,27)(H,23,24)/t15-,16+,18-,19+/m0/s1
InChIKeyJQFIMEGFYUKGOY-OGWHTMIXSA-N
XLogP1.07
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide (CID 40777966) is N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide is O=C(C[C@@H]1O[C@H](CNC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1O)Nc1ccccc1.
What is the InChIKey of N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide?
The InChIKey is JQFIMEGFYUKGOY-OGWHTMIXSA-N. The full InChI is InChI=1S/C20H21FN2O5/c21-13-6-4-5-12(9-13)20(27)22-11-16-19(26)18(25)15(28-16)10-17(24)23-14-7-2-1-3-8-14/h1-9,15-16,18-19,25-26H,10-11H2,(H,22,27)(H,23,24)/t15-,16+,18-,19+/m0/s1.
What are the key properties of N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide?
N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide has a molecular weight of 388.40 g/mol, XLogP of 1.07, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5S)-5-(2-anilino-2-oxoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 40777966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).