4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide

C16H15NO3 — CID 174408230

IUPAC4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide
SMILESCC(O)NC(=O)c1ccc(-c2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H15NO3/c1-11(19)17-16(20)15-8-6-14(7-9-15)13-4-2-12(10-18)3-5-13/h2-11,19H,1H3,(H,17,20)
InChIKeyKGEBHPMKESIJRT-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.23
Rot. Bonds4

About 4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide

4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide (PubChem CID 174408230) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide
PubChem CID174408230
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide
SMILESCC(O)NC(=O)c1ccc(-c2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H15NO3/c1-11(19)17-16(20)15-8-6-14(7-9-15)13-4-2-12(10-18)3-5-13/h2-11,19H,1H3,(H,17,20)
InChIKeyKGEBHPMKESIJRT-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-formylphenyl)-N-[3-hydroxy-1-(methoxyamino)-1-oxobutan-2-yl]benzamide
CID 87199516
(2S)-2-[(4-formylbenzoyl)amino]-3-hydroxypropanoic acid
CID 125484351
4-(4-formylphenyl)benzoyl chloride
CID 89223332
4-formyl-N-propan-2-ylbenzamide;1-methyl-4-propylsulfanylbenzene
CID 153370018
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
CID 88940421
4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
CID 641325
N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854
4-[4-[3,5-bis[4-(4-formylphenyl)phenyl]phenyl]phenyl]benzoic acid
CID 90463094
N-(1-hydroxyethylcarbamoyl)-4-methylbenzamide
CID 140968714
N-propan-2-yl-4-pyridin-4-ylbenzamide
CID 18337148
4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde
CID 175444205
4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide
CID 59811427

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide?
The IUPAC name of 4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide (CID 174408230) is 4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide.
What is the SMILES notation for 4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide?
The canonical SMILES for 4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide is CC(O)NC(=O)c1ccc(-c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide?
The InChIKey is KGEBHPMKESIJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11(19)17-16(20)15-8-6-14(7-9-15)13-4-2-12(10-18)3-5-13/h2-11,19H,1H3,(H,17,20).
What are the key properties of 4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide?
4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide has a molecular weight of 269.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylphenyl)-N-(1-hydroxyethyl)benzamide is sourced from PubChem (CID 174408230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).