N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide

C17H16N2O2 — CID 24708338

IUPACN-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide
SMILESCc1cccc(C(=O)N(CCC#N)c2ccccc2)c1O
InChIInChI=1S/C17H16N2O2/c1-13-7-5-10-15(16(13)20)17(21)19(12-6-11-18)14-8-3-2-4-9-14/h2-5,7-10,20H,6,12H2,1H3
InChIKeyWVTZREPMMHJMKB-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.26
Rot. Bonds4

About N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide

N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide (PubChem CID 24708338) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide
PubChem CID24708338
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide
SMILESCc1cccc(C(=O)N(CCC#N)c2ccccc2)c1O
InChIInChI=1S/C17H16N2O2/c1-13-7-5-10-15(16(13)20)17(21)19(12-6-11-18)14-8-3-2-4-9-14/h2-5,7-10,20H,6,12H2,1H3
InChIKeyWVTZREPMMHJMKB-UHFFFAOYSA-N
XLogP3.26
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
N-(cyanomethyl)-2-methyl-N-phenylbenzamide
CID 82131459
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
3-amino-2-chloro-N-(2-cyanoethyl)-N-phenylbenzamide
CID 115930125
N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 62830086
N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide
CID 107721972
N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide
CID 103520576
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide
CID 65153086
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 86979034
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
CID 60717668
N-ethyl-2,3-dihydroxy-N-phenylbenzamide
CID 114343845

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide (CID 24708338) is N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide is Cc1cccc(C(=O)N(CCC#N)c2ccccc2)c1O.
What is the InChIKey of N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide?
The InChIKey is WVTZREPMMHJMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-7-5-10-15(16(13)20)17(21)19(12-6-11-18)14-8-3-2-4-9-14/h2-5,7-10,20H,6,12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide?
N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide has a molecular weight of 280.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide is sourced from PubChem (CID 24708338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).