4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide

C22H19NO3 — CID 141009593

IUPAC4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide
SMILESO=Cc1ccccc1-c1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c24-16-19-6-4-5-9-21(19)17-10-12-18(13-11-17)22(25)23-14-15-26-20-7-2-1-3-8-20/h1-13,16H,14-15H2,(H,23,25)
InChIKeyVHXKHIJBBSVRIT-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.97
Rot. Bonds7

About 4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide

4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide (PubChem CID 141009593) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide
PubChem CID141009593
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide
SMILESO=Cc1ccccc1-c1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c24-16-19-6-4-5-9-21(19)17-10-12-18(13-11-17)22(25)23-14-15-26-20-7-2-1-3-8-20/h1-13,16H,14-15H2,(H,23,25)
InChIKeyVHXKHIJBBSVRIT-UHFFFAOYSA-N
XLogP3.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
N-[2-[[N'-methyl-N-[2-(4-methylphenoxy)ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111276599
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane
CID 143929645
N'-(2-phenoxyethyl)-N-[3-[[4-(2H-triazol-4-yl)benzoyl]amino]propyl]dodecanediamide
CID 162289382
N-[3-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]propyl]benzamide
CID 111005793
4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-(2-phenoxyethyl)benzamide
CID 46092004
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate
CID 27758271
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
2-oxo-N-(2-phenoxyethyl)-1H-pyridine-4-carboxamide
CID 103762674

Frequently Asked Questions

What is the IUPAC name of 4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide (CID 141009593) is 4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide is O=Cc1ccccc1-c1ccc(C(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of 4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide?
The InChIKey is VHXKHIJBBSVRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-16-19-6-4-5-9-21(19)17-10-12-18(13-11-17)22(25)23-14-15-26-20-7-2-1-3-8-20/h1-13,16H,14-15H2,(H,23,25).
What are the key properties of 4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide?
4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide has a molecular weight of 345.40 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-formylphenyl)-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 141009593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).