5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide

C11H12Cl2N2O — CID 107185667

IUPAC5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-3-4-15(2)11(16)8-5-7(14)6-9(12)10(8)13/h3,5-6H,1,4,14H2,2H3
InChIKeyIUKQDRGPMDONAL-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.83
Rot. Bonds3

About 5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide

5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide (PubChem CID 107185667) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide
PubChem CID107185667
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-3-4-15(2)11(16)8-5-7(14)6-9(12)10(8)13/h3,5-6H,1,4,14H2,2H3
InChIKeyIUKQDRGPMDONAL-UHFFFAOYSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 107185946
2,3-dichloro-N-methyl-5-nitro-N-prop-2-enylbenzamide
CID 107189270
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 107185944
3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide
CID 112576109
methyl 3-[(5-amino-2,3-dichlorobenzoyl)-methylamino]propanoate
CID 107184847
5-amino-2,3-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 107186071
5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 107185588
5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184567
5-amino-2,3-dichlorobenzamide
CID 107183127
5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 107185300
5-amino-2,3-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 107185298

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide (CID 107185667) is 5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide is C=CCN(C)C(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide?
The InChIKey is IUKQDRGPMDONAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-3-4-15(2)11(16)8-5-7(14)6-9(12)10(8)13/h3,5-6H,1,4,14H2,2H3.
What are the key properties of 5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide?
5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide has a molecular weight of 259.14 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 107185667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).