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N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide

C19H21NO4 — CID 155902479

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide
SMILESO=C(N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O)c1ccccc1
InChIInChI=1S/C19H21NO4/c21-17-15(20-19(23)13-7-3-1-4-8-13)11-12-16(18(17)22)24-14-9-5-2-6-10-14/h1-10,15-18,21-22H,11-12H2,(H,20,23)/t15-,16-,17-,18-/m1/s1
InChIKeyCVHNHIVUXXLGIU-BRSBDYLESA-N
MW327.38 g/mol
LogP1.75
Rot. Bonds4

About N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide

N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide (PubChem CID 155902479) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide
PubChem CID155902479
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide
SMILESO=C(N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O)c1ccccc1
InChIInChI=1S/C19H21NO4/c21-17-15(20-19(23)13-7-3-1-4-8-13)11-12-16(18(17)22)24-14-9-5-2-6-10-14/h1-10,15-18,21-22H,11-12H2,(H,20,23)/t15-,16-,17-,18-/m1/s1
InChIKeyCVHNHIVUXXLGIU-BRSBDYLESA-N
XLogP1.75
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide?
The IUPAC name of N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide (CID 155902479) is N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide.
What is the SMILES notation for N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide?
The canonical SMILES for N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide is O=C(N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O)c1ccccc1.
What is the InChIKey of N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide?
The InChIKey is CVHNHIVUXXLGIU-BRSBDYLESA-N. The full InChI is InChI=1S/C19H21NO4/c21-17-15(20-19(23)13-7-3-1-4-8-13)11-12-16(18(17)22)24-14-9-5-2-6-10-14/h1-10,15-18,21-22H,11-12H2,(H,20,23)/t15-,16-,17-,18-/m1/s1.
What are the key properties of N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide?
N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide is sourced from PubChem (CID 155902479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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