N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide

C16H14N2O3 — CID 107721972

IUPACN-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide
SMILESN#CCCN(C(=O)c1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C16H14N2O3/c17-9-4-10-18(12-5-2-1-3-6-12)16(21)14-11-13(19)7-8-15(14)20/h1-3,5-8,11,19-20H,4,10H2
InChIKeyCPSVVPXLUSUOQG-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.66
Rot. Bonds4

About N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide

N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide (PubChem CID 107721972) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide
PubChem CID107721972
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide
SMILESN#CCCN(C(=O)c1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C16H14N2O3/c17-9-4-10-18(12-5-2-1-3-6-12)16(21)14-11-13(19)7-8-15(14)20/h1-3,5-8,11,19-20H,4,10H2
InChIKeyCPSVVPXLUSUOQG-UHFFFAOYSA-N
XLogP2.66
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide
CID 103520576
N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide
CID 24708338
2,5-dihydroxy-N-methyl-N-phenylbenzamide
CID 113347039
3-amino-2-chloro-N-(2-cyanoethyl)-N-phenylbenzamide
CID 115930125
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 62830086
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide
CID 24702771
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790207
N-butyl-2-hydroxy-5-methyl-N-phenylbenzamide
CID 60715687
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide (CID 107721972) is N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide is N#CCCN(C(=O)c1cc(O)ccc1O)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide?
The InChIKey is CPSVVPXLUSUOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c17-9-4-10-18(12-5-2-1-3-6-12)16(21)14-11-13(19)7-8-15(14)20/h1-3,5-8,11,19-20H,4,10H2.
What are the key properties of N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide?
N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide has a molecular weight of 282.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide is sourced from PubChem (CID 107721972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).