N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide

C17H16N2O2 — CID 103863635

IUPACN-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C17H16N2O2/c1-12-8-15(20)6-7-16(12)17(21)19(2)11-14-5-3-4-13(9-14)10-18/h3-9,20H,11H2,1-2H3
InChIKeyFMOBQHPIDQHXKX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.84
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide

N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide (PubChem CID 103863635) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide
PubChem CID103863635
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C17H16N2O2/c1-12-8-15(20)6-7-16(12)17(21)19(2)11-14-5-3-4-13(9-14)10-18/h3-9,20H,11H2,1-2H3
InChIKeyFMOBQHPIDQHXKX-UHFFFAOYSA-N
XLogP2.84
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829715
N-[(3-cyanophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 78950805
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 47024081
5-amino-2-chloro-N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 61104833
N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63859996
N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 62968450
3-bromo-N-[(3-cyanophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 106544611
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
N-[(3-cyanophenyl)methyl]-N-methyl-3-sulfanylbenzamide
CID 107028981

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide (CID 103863635) is N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide is Cc1cc(O)ccc1C(=O)N(C)Cc1cccc(C#N)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide?
The InChIKey is FMOBQHPIDQHXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-8-15(20)6-7-16(12)17(21)19(2)11-14-5-3-4-13(9-14)10-18/h3-9,20H,11H2,1-2H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide?
N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide has a molecular weight of 280.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide is sourced from PubChem (CID 103863635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).