N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide

C18H25FN2O3 — CID 75367088

IUPACN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C18H25FN2O3/c19-13-8-6-12(7-9-13)18(23)20-10-16-17(22)15(11-24-16)21-14-4-2-1-3-5-14/h6-9,14-17,21-22H,1-5,10-11H2,(H,20,23)/t15-,16-,17+/m1/s1
InChIKeyJZRPKUUZRMPDHF-ZACQAIPSSA-N
MW336.41 g/mol
LogP1.61
Rot. Bonds5

About N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide

N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide (PubChem CID 75367088) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
PubChem CID75367088
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C18H25FN2O3/c19-13-8-6-12(7-9-13)18(23)20-10-16-17(22)15(11-24-16)21-14-4-2-1-3-5-14/h6-9,14-17,21-22H,1-5,10-11H2,(H,20,23)/t15-,16-,17+/m1/s1
InChIKeyJZRPKUUZRMPDHF-ZACQAIPSSA-N
XLogP1.61
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-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)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide (CID 75367088) is N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide is O=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)c1ccc(F)cc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
The InChIKey is JZRPKUUZRMPDHF-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-13-8-6-12(7-9-13)18(23)20-10-16-17(22)15(11-24-16)21-14-4-2-1-3-5-14/h6-9,14-17,21-22H,1-5,10-11H2,(H,20,23)/t15-,16-,17+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide has a molecular weight of 336.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 75367088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).