N-ethyl-2,3-dihydroxy-N-phenylbenzamide

C15H15NO3 — CID 114343845

IUPACN-ethyl-2,3-dihydroxy-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(O)c1O)c1ccccc1
InChIInChI=1S/C15H15NO3/c1-2-16(11-7-4-3-5-8-11)15(19)12-9-6-10-13(17)14(12)18/h3-10,17-18H,2H2,1H3
InChIKeyCSNIJYYKOSTPSJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.76
Rot. Bonds3

About N-ethyl-2,3-dihydroxy-N-phenylbenzamide

N-ethyl-2,3-dihydroxy-N-phenylbenzamide (PubChem CID 114343845) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-ethyl-2,3-dihydroxy-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-2,3-dihydroxy-N-phenylbenzamide
PubChem CID114343845
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-ethyl-2,3-dihydroxy-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(O)c1O)c1ccccc1
InChIInChI=1S/C15H15NO3/c1-2-16(11-7-4-3-5-8-11)15(19)12-9-6-10-13(17)14(12)18/h3-10,17-18H,2H2,1H3
InChIKeyCSNIJYYKOSTPSJ-UHFFFAOYSA-N
XLogP2.76
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114344262
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
CID 60717668
N-ethyl-3-hydroxy-2-methyl-N-pyridin-4-ylbenzamide
CID 106936106
N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide
CID 114343923
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
CID 29097744
2,5-dibromo-N-ethyl-N-phenylbenzamide
CID 53352174
2-amino-N-ethyl-4-methoxy-N-phenylbenzamide
CID 115412453
N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide
CID 24708338
N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107735686
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dihydroxy-N-phenylbenzamide?
The IUPAC name of N-ethyl-2,3-dihydroxy-N-phenylbenzamide (CID 114343845) is N-ethyl-2,3-dihydroxy-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-2,3-dihydroxy-N-phenylbenzamide?
The canonical SMILES for N-ethyl-2,3-dihydroxy-N-phenylbenzamide is CCN(C(=O)c1cccc(O)c1O)c1ccccc1.
What is the InChIKey of N-ethyl-2,3-dihydroxy-N-phenylbenzamide?
The InChIKey is CSNIJYYKOSTPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-16(11-7-4-3-5-8-11)15(19)12-9-6-10-13(17)14(12)18/h3-10,17-18H,2H2,1H3.
What are the key properties of N-ethyl-2,3-dihydroxy-N-phenylbenzamide?
N-ethyl-2,3-dihydroxy-N-phenylbenzamide has a molecular weight of 257.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dihydroxy-N-phenylbenzamide is sourced from PubChem (CID 114343845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).