5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

C12H14Cl2N2O2 — CID 107185946

IUPAC5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-2-3-16(4-5-17)12(18)9-6-8(15)7-10(13)11(9)14/h2,6-7,17H,1,3-5,15H2
InChIKeyMMWARNBXWIUZCG-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.20
Rot. Bonds5

About 5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (PubChem CID 107185946) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
PubChem CID107185946
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-2-3-16(4-5-17)12(18)9-6-8(15)7-10(13)11(9)14/h2,6-7,17H,1,3-5,15H2
InChIKeyMMWARNBXWIUZCG-UHFFFAOYSA-N
XLogP2.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-N-prop-2-enylbenzamide
CID 107185667
2-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-5-sulfanylbenzamide
CID 107035729
5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 114089582
2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 114918916
2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 103860931
2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115775854
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
5-chloro-N-(2-hydroxyethyl)-2-nitro-N-prop-2-enylbenzamide
CID 115776034
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide
CID 115877855

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (CID 107185946) is 5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is C=CCN(CCO)C(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The InChIKey is MMWARNBXWIUZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-2-3-16(4-5-17)12(18)9-6-8(15)7-10(13)11(9)14/h2,6-7,17H,1,3-5,15H2.
What are the key properties of 5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide has a molecular weight of 289.16 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 107185946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).