3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide

C11H13ClN2O — CID 112576109

IUPAC3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C11H13ClN2O/c1-3-7-14(2)11(15)8-5-4-6-9(13)10(8)12/h3-6H,1,7,13H2,2H3
InChIKeyIINGLDMXEWPPHN-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.18
Rot. Bonds3

About 3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide

3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide (PubChem CID 112576109) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide
PubChem CID112576109
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C11H13ClN2O/c1-3-7-14(2)11(15)8-5-4-6-9(13)10(8)12/h3-6H,1,7,13H2,2H3
InChIKeyIINGLDMXEWPPHN-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.18
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

3-amino-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683
3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide
CID 112574760
3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 115930176
3-amino-2-chloro-N-methyl-N-prop-2-ynylbenzamide
CID 112576106
3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 112574764
3-amino-2-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 112574727
5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide
CID 107185667
3-amino-2-chloro-N-prop-2-enylbenzamide
CID 112575204
3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide
CID 106547679
3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
CID 112575679
3-amino-2-chloro-N,N-bis(cyanomethyl)benzamide
CID 112574281

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide (CID 112576109) is 3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide is C=CCN(C)C(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide?
The InChIKey is IINGLDMXEWPPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-3-7-14(2)11(15)8-5-4-6-9(13)10(8)12/h3-6H,1,7,13H2,2H3.
What are the key properties of 3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide?
3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide has a molecular weight of 224.69 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 112576109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).