N,N-diethyl-2-formylbenzamide

C12H15NO2 — CID 12512818

IUPACN,N-diethyl-2-formylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1C=O
InChIInChI=1S/C12H15NO2/c1-3-13(4-2)12(15)11-8-6-5-7-10(11)9-14/h5-9H,3-4H2,1-2H3
InChIKeyHAIPDDLSHRNBRC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.98
Rot. Bonds4

About N,N-diethyl-2-formylbenzamide

N,N-diethyl-2-formylbenzamide (PubChem CID 12512818) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N,N-diethyl-2-formylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-formylbenzamide
PubChem CID12512818
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN,N-diethyl-2-formylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1C=O
InChIInChI=1S/C12H15NO2/c1-3-13(4-2)12(15)11-8-6-5-7-10(11)9-14/h5-9H,3-4H2,1-2H3
InChIKeyHAIPDDLSHRNBRC-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 4284
CID 4284
CID 11074
CID 11074
CID 15542
CID 15542
CID 75945
CID 75945
CID 69892
CID 69892
CID 67535
CID 67535
CID 8354
CID 8354
CID 73812
CID 73812
CID 11916
CID 11916
CID 21120
CID 21120
CID 75946
CID 75946
CID 83270
CID 83270

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-formylbenzamide?
The IUPAC name of N,N-diethyl-2-formylbenzamide (CID 12512818) is N,N-diethyl-2-formylbenzamide.
What is the SMILES notation for N,N-diethyl-2-formylbenzamide?
The canonical SMILES for N,N-diethyl-2-formylbenzamide is CCN(CC)C(=O)c1ccccc1C=O.
What is the InChIKey of N,N-diethyl-2-formylbenzamide?
The InChIKey is HAIPDDLSHRNBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-13(4-2)12(15)11-8-6-5-7-10(11)9-14/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-formylbenzamide?
N,N-diethyl-2-formylbenzamide has a molecular weight of 205.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-formylbenzamide is sourced from PubChem (CID 12512818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).