N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide

C22H17NO2 — CID 24676287

IUPACN-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide
SMILESC#Cc1cccc(NC(=O)c2ccccc2COc2ccccc2)c1
InChIInChI=1S/C22H17NO2/c1-2-17-9-8-11-19(15-17)23-22(24)21-14-7-6-10-18(21)16-25-20-12-4-3-5-13-20/h1,3-15H,16H2,(H,23,24)
InChIKeyZGZFKDLHLRFLQY-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.50
Rot. Bonds5

About N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide

N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide (PubChem CID 24676287) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide
PubChem CID24676287
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC NameN-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide
SMILESC#Cc1cccc(NC(=O)c2ccccc2COc2ccccc2)c1
InChIInChI=1S/C22H17NO2/c1-2-17-9-8-11-19(15-17)23-22(24)21-14-7-6-10-18(21)16-25-20-12-4-3-5-13-20/h1,3-15H,16H2,(H,23,24)
InChIKeyZGZFKDLHLRFLQY-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(phenoxymethyl)-N-(3-sulfamoylphenyl)benzamide
CID 24854768
2-bromo-N-(3-ethynylphenyl)-4-phenylmethoxybenzamide
CID 174760803
N-(3-ethynylphenyl)-2,3-dihydroxybenzamide
CID 114343731
2-benzamido-N-(3-ethynylphenyl)benzamide
CID 43050120
N-(3-ethynylphenyl)-2-iodobenzamide
CID 24676235
N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
CID 17428367
N-(3-ethynylphenyl)-2-methylsulfanylbenzamide
CID 24676261
4,6-bis[(3-ethynylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;4,6-bis[(4-ethynylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;2,5-bis[(3-ethynylphenyl)carbamoyl]terephthalic acid;2,5-bis[(4-ethynylphenyl)carbamoyl]terephthalic acid;4-[(3-ethynylphenyl)carbamoyl]-6-[(4-ethynylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;2-[(3-ethynylphenyl)carbamoyl]-5-[(4-ethynylphenyl)carbamoyl]terephthalic acid
CID 158130623
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
2-[(3-ethynylanilino)methyl]benzoic acid
CID 103230660
N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide
CID 99584902
2-(phenoxymethyl)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24676056

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide?
The IUPAC name of N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide (CID 24676287) is N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide?
The canonical SMILES for N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide is C#Cc1cccc(NC(=O)c2ccccc2COc2ccccc2)c1.
What is the InChIKey of N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide?
The InChIKey is ZGZFKDLHLRFLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-2-17-9-8-11-19(15-17)23-22(24)21-14-7-6-10-18(21)16-25-20-12-4-3-5-13-20/h1,3-15H,16H2,(H,23,24).
What are the key properties of N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide?
N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide has a molecular weight of 327.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide is sourced from PubChem (CID 24676287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).