3,5-dichloro-N,N-diethyl-2-formylbenzamide

C12H13Cl2NO2 — CID 82544303

IUPAC3,5-dichloro-N,N-diethyl-2-formylbenzamide
SMILESCCN(CC)C(=O)c1cc(Cl)cc(Cl)c1C=O
InChIInChI=1S/C12H13Cl2NO2/c1-3-15(4-2)12(17)9-5-8(13)6-11(14)10(9)7-16/h5-7H,3-4H2,1-2H3
InChIKeyMMEUPARFNXNDBM-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.29
Rot. Bonds4

About 3,5-dichloro-N,N-diethyl-2-formylbenzamide

3,5-dichloro-N,N-diethyl-2-formylbenzamide (PubChem CID 82544303) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 3,5-dichloro-N,N-diethyl-2-formylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N,N-diethyl-2-formylbenzamide
PubChem CID82544303
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name3,5-dichloro-N,N-diethyl-2-formylbenzamide
SMILESCCN(CC)C(=O)c1cc(Cl)cc(Cl)c1C=O
InChIInChI=1S/C12H13Cl2NO2/c1-3-15(4-2)12(17)9-5-8(13)6-11(14)10(9)7-16/h5-7H,3-4H2,1-2H3
InChIKeyMMEUPARFNXNDBM-UHFFFAOYSA-N
XLogP3.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 53.29
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

4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
CID 23857395
N,N-diethyl-3,5-difluoro-2-formylbenzamide
CID 82544316
3,4,5-trichloro-N,N-diethylbenzamide
CID 50849492
5-chloro-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide
CID 110855176
2,4-dichloro-N,N-diethyl-5-sulfamoylbenzamide
CID 60635894
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
methyl 3-[(3,5-dichloro-2-iodobenzoyl)-ethylamino]propanoate
CID 61010031
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
3,5-dichloro-N-ethyl-N-methyl-2-(methylamino)benzamide
CID 155666950
3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide
CID 166025778
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
5-chloro-N,N-diethylnaphthalene-1-carboxamide
CID 50850160

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N,N-diethyl-2-formylbenzamide?
The IUPAC name of 3,5-dichloro-N,N-diethyl-2-formylbenzamide (CID 82544303) is 3,5-dichloro-N,N-diethyl-2-formylbenzamide.
What is the SMILES notation for 3,5-dichloro-N,N-diethyl-2-formylbenzamide?
The canonical SMILES for 3,5-dichloro-N,N-diethyl-2-formylbenzamide is CCN(CC)C(=O)c1cc(Cl)cc(Cl)c1C=O.
What is the InChIKey of 3,5-dichloro-N,N-diethyl-2-formylbenzamide?
The InChIKey is MMEUPARFNXNDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-3-15(4-2)12(17)9-5-8(13)6-11(14)10(9)7-16/h5-7H,3-4H2,1-2H3.
What are the key properties of 3,5-dichloro-N,N-diethyl-2-formylbenzamide?
3,5-dichloro-N,N-diethyl-2-formylbenzamide has a molecular weight of 274.15 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N,N-diethyl-2-formylbenzamide is sourced from PubChem (CID 82544303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).