3,4-dichloro-N-(2-methylpropoxy)benzamide

C11H13Cl2NO2 — CID 115409805

IUPAC3,4-dichloro-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-7(2)6-16-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyVTBOZRRKFANKIY-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.31
Rot. Bonds4

About 3,4-dichloro-N-(2-methylpropoxy)benzamide

3,4-dichloro-N-(2-methylpropoxy)benzamide (PubChem CID 115409805) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-methylpropoxy)benzamide
PubChem CID115409805
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name3,4-dichloro-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-7(2)6-16-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyVTBOZRRKFANKIY-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-methylpropoxy)-3-methylsulfonylbenzamide
CID 115409695
2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 24657372
2-methylpropyl 3,4-dichlorobenzoate
CID 82186391
N-(2-methylpropoxy)quinoxaline-6-carboxamide
CID 113304462
4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide
CID 103956177
4-bromo-N-(2-methylpropoxy)benzamide
CID 115410038
N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide
CID 115409893
4-(aminomethyl)-N-(2-methylpropoxy)benzamide
CID 82721691
N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide
CID 113304625
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
3,5-dibromo-N-(2-methylpropoxy)benzamide
CID 103908515
6-chloro-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 115410299

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-methylpropoxy)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-methylpropoxy)benzamide (CID 115409805) is 3,4-dichloro-N-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-methylpropoxy)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-methylpropoxy)benzamide is CC(C)CONC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-methylpropoxy)benzamide?
The InChIKey is VTBOZRRKFANKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-7(2)6-16-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 3,4-dichloro-N-(2-methylpropoxy)benzamide?
3,4-dichloro-N-(2-methylpropoxy)benzamide has a molecular weight of 262.14 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-methylpropoxy)benzamide is sourced from PubChem (CID 115409805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).