N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide

C16H14N2O2 — CID 99853114

IUPACN-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
SMILESC[C@@H](NC(=O)c1cccc(O)c1)c1ccc(C#N)cc1
InChIInChI=1S/C16H14N2O2/c1-11(13-7-5-12(10-17)6-8-13)18-16(20)14-3-2-4-15(19)9-14/h2-9,11,19H,1H3,(H,18,20)/t11-/m1/s1
InChIKeyUYZRLCUKWKYBPX-LLVKDONJSA-N
MW266.30 g/mol
LogP2.75
Rot. Bonds3

About N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide

N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide (PubChem CID 99853114) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
PubChem CID99853114
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
SMILESC[C@@H](NC(=O)c1cccc(O)c1)c1ccc(C#N)cc1
InChIInChI=1S/C16H14N2O2/c1-11(13-7-5-12(10-17)6-8-13)18-16(20)14-3-2-4-15(19)9-14/h2-9,11,19H,1H3,(H,18,20)/t11-/m1/s1
InChIKeyUYZRLCUKWKYBPX-LLVKDONJSA-N
XLogP2.75
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
CID 86785759
3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739766
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide
CID 60917725
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
3-cyano-N-(1-naphthalen-2-ylethyl)benzamide
CID 4824219
3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 7899681
3-cyano-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 42959635
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
3-cyano-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725041
3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide
CID 55632235
3-cyano-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 35905657

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide?
The IUPAC name of N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide (CID 99853114) is N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide?
The canonical SMILES for N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide is C[C@@H](NC(=O)c1cccc(O)c1)c1ccc(C#N)cc1.
What is the InChIKey of N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide?
The InChIKey is UYZRLCUKWKYBPX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11(13-7-5-12(10-17)6-8-13)18-16(20)14-3-2-4-15(19)9-14/h2-9,11,19H,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide?
N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 99853114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).