4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide

C16H17NO3 — CID 103960520

IUPAC4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide
SMILESCC[C@@H](O)c1ccccc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H17NO3/c1-2-14(18)13-5-3-4-6-15(13)20-12-9-7-11(8-10-12)16(17)19/h3-10,14,18H,2H2,1H3,(H2,17,19)/t14-/m1/s1
InChIKeyJKUCZAWXSCMOIA-CQSZACIVSA-N
MW271.32 g/mol
LogP3.02
Rot. Bonds5

About 4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide

4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide (PubChem CID 103960520) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide
PubChem CID103960520
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide
SMILESCC[C@@H](O)c1ccccc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H17NO3/c1-2-14(18)13-5-3-4-6-15(13)20-12-9-7-11(8-10-12)16(17)19/h3-10,14,18H,2H2,1H3,(H2,17,19)/t14-/m1/s1
InChIKeyJKUCZAWXSCMOIA-CQSZACIVSA-N
XLogP3.02
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-[(1R)-1-hydroxyethyl]phenoxy]benzamide
CID 55182876
(1R)-1-[2-(4-ethoxyphenoxy)phenyl]propan-1-ol
CID 103960453
(1S)-1-[2-(4-iodophenoxy)phenyl]propan-1-ol
CID 113359087
(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol
CID 103960590
4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
CID 56545716
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
(1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol
CID 103960549
4-[2-(aminomethyl)phenoxy]benzamide
CID 28824744
4-[2-(hydroxymethyl)phenoxy]benzamide
CID 28946171
(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
CID 103960425
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide?
The IUPAC name of 4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide (CID 103960520) is 4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide.
What is the SMILES notation for 4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide?
The canonical SMILES for 4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide is CC[C@@H](O)c1ccccc1Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide?
The InChIKey is JKUCZAWXSCMOIA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-14(18)13-5-3-4-6-15(13)20-12-9-7-11(8-10-12)16(17)19/h3-10,14,18H,2H2,1H3,(H2,17,19)/t14-/m1/s1.
What are the key properties of 4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide?
4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide has a molecular weight of 271.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide is sourced from PubChem (CID 103960520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).