4-formyl-N-(2-phenylethyl)benzamide

C16H15NO2 — CID 12773386

IUPAC4-formyl-N-(2-phenylethyl)benzamide
SMILESO=Cc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c18-12-14-6-8-15(9-7-14)16(19)17-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,17,19)
InChIKeyUDYQQOWAOFCYIV-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.47
Rot. Bonds5

About 4-formyl-N-(2-phenylethyl)benzamide

4-formyl-N-(2-phenylethyl)benzamide (PubChem CID 12773386) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-formyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-formyl-N-(2-phenylethyl)benzamide
PubChem CID12773386
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-formyl-N-(2-phenylethyl)benzamide
SMILESO=Cc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c18-12-14-6-8-15(9-7-14)16(19)17-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,17,19)
InChIKeyUDYQQOWAOFCYIV-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide
CID 87952019
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047887
[difluoro-[4-(2-phenylethylcarbamoyl)phenyl]methyl]phosphonic acid
CID 46878793
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
N-butyl-4-formylbenzamide
CID 118474745
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 24654315
4-bromo-N-[3-(2-phenylethylamino)propyl]benzamide
CID 118607477

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-formyl-N-(2-phenylethyl)benzamide (CID 12773386) is 4-formyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-formyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-formyl-N-(2-phenylethyl)benzamide is O=Cc1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-formyl-N-(2-phenylethyl)benzamide?
The InChIKey is UDYQQOWAOFCYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-12-14-6-8-15(9-7-14)16(19)17-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,17,19).
What are the key properties of 4-formyl-N-(2-phenylethyl)benzamide?
4-formyl-N-(2-phenylethyl)benzamide has a molecular weight of 253.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 12773386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).