N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide

C17H15N3O3 — CID 108923117

IUPACN-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide
SMILESN#CCC(=O)Nc1ccc(CNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H15N3O3/c18-10-9-16(22)20-13-7-5-12(6-8-13)11-19-17(23)14-3-1-2-4-15(14)21/h1-8,21H,9,11H2,(H,19,23)(H,20,22)
InChIKeyVBOZQSMFYPMBSI-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.17
Rot. Bonds5

About N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide

N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide (PubChem CID 108923117) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide
PubChem CID108923117
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide
SMILESN#CCC(=O)Nc1ccc(CNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H15N3O3/c18-10-9-16(22)20-13-7-5-12(6-8-13)11-19-17(23)14-3-1-2-4-15(14)21/h1-8,21H,9,11H2,(H,19,23)(H,20,22)
InChIKeyVBOZQSMFYPMBSI-UHFFFAOYSA-N
XLogP2.17
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-sulfanylbenzamide
CID 108923213
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]naphthalene-1-carboxamide
CID 108923199
N-[4-[(carbamoylamino)methyl]phenyl]-2-cyanoacetamide
CID 168523403
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-2-sulfanylbenzamide
CID 108923212
2-hydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 47148502
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethylbenzamide
CID 108923285
2-hydroxy-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909836
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 108923065
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide?
The IUPAC name of N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide (CID 108923117) is N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide?
The canonical SMILES for N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide is N#CCC(=O)Nc1ccc(CNC(=O)c2ccccc2O)cc1.
What is the InChIKey of N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide?
The InChIKey is VBOZQSMFYPMBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c18-10-9-16(22)20-13-7-5-12(6-8-13)11-19-17(23)14-3-1-2-4-15(14)21/h1-8,21H,9,11H2,(H,19,23)(H,20,22).
What are the key properties of N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide?
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide has a molecular weight of 309.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-hydroxybenzamide is sourced from PubChem (CID 108923117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).