2,6-dichloro-N-(2,2-diethoxyethyl)benzamide

C13H17Cl2NO3 — CID 79547463

IUPAC2,6-dichloro-N-(2,2-diethoxyethyl)benzamide
SMILESCCOC(CNC(=O)c1c(Cl)cccc1Cl)OCC
InChIInChI=1S/C13H17Cl2NO3/c1-3-18-11(19-4-2)8-16-13(17)12-9(14)6-5-7-10(12)15/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyVGMHJQZUOLSHDB-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.12
Rot. Bonds7

About 2,6-dichloro-N-(2,2-diethoxyethyl)benzamide

2,6-dichloro-N-(2,2-diethoxyethyl)benzamide (PubChem CID 79547463) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2,6-dichloro-N-(2,2-diethoxyethyl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2,2-diethoxyethyl)benzamide
PubChem CID79547463
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name2,6-dichloro-N-(2,2-diethoxyethyl)benzamide
SMILESCCOC(CNC(=O)c1c(Cl)cccc1Cl)OCC
InChIInChI=1S/C13H17Cl2NO3/c1-3-18-11(19-4-2)8-16-13(17)12-9(14)6-5-7-10(12)15/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyVGMHJQZUOLSHDB-UHFFFAOYSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 81066303
methyl 2,3-bis[(2,6-dichlorobenzoyl)amino]propanoate
CID 139970116
3-amino-N-(2,2-diethoxyethyl)benzamide
CID 79547967
N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide
CID 114316754
N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide
CID 78909705
3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
CID 155944087
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145
2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 96523969
N-(2,2-diethoxyethyl)-1H-indole-4-carboxamide
CID 79548414
N-(2-amino-2-cyclopropylethyl)-2,6-dichlorobenzamide
CID 113282152
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide
CID 78909661

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2,2-diethoxyethyl)benzamide?
The IUPAC name of 2,6-dichloro-N-(2,2-diethoxyethyl)benzamide (CID 79547463) is 2,6-dichloro-N-(2,2-diethoxyethyl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(2,2-diethoxyethyl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(2,2-diethoxyethyl)benzamide is CCOC(CNC(=O)c1c(Cl)cccc1Cl)OCC.
What is the InChIKey of 2,6-dichloro-N-(2,2-diethoxyethyl)benzamide?
The InChIKey is VGMHJQZUOLSHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-3-18-11(19-4-2)8-16-13(17)12-9(14)6-5-7-10(12)15/h5-7,11H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 2,6-dichloro-N-(2,2-diethoxyethyl)benzamide?
2,6-dichloro-N-(2,2-diethoxyethyl)benzamide has a molecular weight of 306.19 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2,2-diethoxyethyl)benzamide is sourced from PubChem (CID 79547463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).