N-(2-ethoxyphenyl)-4-formylbenzamide

C16H15NO3 — CID 134025431

IUPACN-(2-ethoxyphenyl)-4-formylbenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C16H15NO3/c1-2-20-15-6-4-3-5-14(15)17-16(19)13-9-7-12(11-18)8-10-13/h3-11H,2H2,1H3,(H,17,19)
InChIKeyMQKPUYIJIIUETC-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.15
Rot. Bonds5

About N-(2-ethoxyphenyl)-4-formylbenzamide

N-(2-ethoxyphenyl)-4-formylbenzamide (PubChem CID 134025431) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-formylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-formylbenzamide
PubChem CID134025431
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(2-ethoxyphenyl)-4-formylbenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C16H15NO3/c1-2-20-15-6-4-3-5-14(15)17-16(19)13-9-7-12(11-18)8-10-13/h3-11H,2H2,1H3,(H,17,19)
InChIKeyMQKPUYIJIIUETC-UHFFFAOYSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-formylbenzoate
CID 2504162
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
4-(2-amino-2-sulfanylideneethyl)-N-(2-ethoxyphenyl)benzamide
CID 94806353
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
4-(cyclopropanecarbonylamino)-N-(2-ethoxyphenyl)benzamide
CID 2995907
4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
CID 2590897
1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049963

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-formylbenzamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-formylbenzamide (CID 134025431) is N-(2-ethoxyphenyl)-4-formylbenzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-formylbenzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-formylbenzamide is CCOc1ccccc1NC(=O)c1ccc(C=O)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-formylbenzamide?
The InChIKey is MQKPUYIJIIUETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-20-15-6-4-3-5-14(15)17-16(19)13-9-7-12(11-18)8-10-13/h3-11H,2H2,1H3,(H,17,19).
What are the key properties of N-(2-ethoxyphenyl)-4-formylbenzamide?
N-(2-ethoxyphenyl)-4-formylbenzamide has a molecular weight of 269.30 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-formylbenzamide is sourced from PubChem (CID 134025431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).