3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide

C17H16N2O3 — CID 111469744

IUPAC3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H16N2O3/c1-12(20)11-19-17(21)14-3-2-4-16(9-14)22-15-7-5-13(10-18)6-8-15/h2-9,12,20H,11H2,1H3,(H,19,21)
InChIKeyYVTGVWVTGLFUTR-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.46
Rot. Bonds5

About 3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide

3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide (PubChem CID 111469744) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide
PubChem CID111469744
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H16N2O3/c1-12(20)11-19-17(21)14-3-2-4-16(9-14)22-15-7-5-13(10-18)6-8-15/h2-9,12,20H,11H2,1H3,(H,19,21)
InChIKeyYVTGVWVTGLFUTR-UHFFFAOYSA-N
XLogP2.46
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide
CID 71911480
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide
CID 97221199
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide
CID 12941943
2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid
CID 170962981
3-cyano-N-(2-ethoxypropyl)benzamide
CID 113241599
N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide
CID 111432837
3-(4-bromophenoxy)-N-ethylbenzamide
CID 12941905
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7700822

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide?
The IUPAC name of 3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide (CID 111469744) is 3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide.
What is the SMILES notation for 3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide?
The canonical SMILES for 3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide is CC(O)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1.
What is the InChIKey of 3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide?
The InChIKey is YVTGVWVTGLFUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12(20)11-19-17(21)14-3-2-4-16(9-14)22-15-7-5-13(10-18)6-8-15/h2-9,12,20H,11H2,1H3,(H,19,21).
What are the key properties of 3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide?
3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide has a molecular weight of 296.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide is sourced from PubChem (CID 111469744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).