N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide

C22H17NO2 — CID 11404659

IUPACN-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCC#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO2/c24-22(19-13-5-2-6-14-19)23-20-15-7-8-16-21(20)25-17-9-12-18-10-3-1-4-11-18/h1-8,10-11,13-16H,17H2,(H,23,24)
InChIKeyVGXPKRPADFLUAT-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.37
Rot. Bonds4

About N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide

N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide (PubChem CID 11404659) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide
PubChem CID11404659
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC NameN-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCC#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO2/c24-22(19-13-5-2-6-14-19)23-20-15-7-8-16-21(20)25-17-9-12-18-10-3-1-4-11-18/h1-8,10-11,13-16H,17H2,(H,23,24)
InChIKeyVGXPKRPADFLUAT-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.37
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

3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide
CID 17130808
N-[2-(2-phenoxyethoxy)phenyl]pyridine-4-carboxamide
CID 17130921
N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
CID 43369387
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
N-[2-(cyanomethoxy)phenyl]furan-3-carboxamide
CID 43369380
4-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54791158
2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide
CID 55524183
2-methyl-3-(3-phenylprop-2-ynoxy)phenol
CID 62339193
4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid
CID 68690130

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide?
The IUPAC name of N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide (CID 11404659) is N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide.
What is the SMILES notation for N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide?
The canonical SMILES for N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide is O=C(Nc1ccccc1OCC#Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide?
The InChIKey is VGXPKRPADFLUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-22(19-13-5-2-6-14-19)23-20-15-7-8-16-21(20)25-17-9-12-18-10-3-1-4-11-18/h1-8,10-11,13-16H,17H2,(H,23,24).
What are the key properties of N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide?
N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide is sourced from PubChem (CID 11404659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).