5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide

C13H20ClN3O2 — CID 107196857

IUPAC5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide
SMILESCC(C)COCCNc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H20ClN3O2/c1-8(2)7-19-4-3-17-12-10(13(16)18)5-9(15)6-11(12)14/h5-6,8,17H,3-4,7,15H2,1-2H3,(H2,16,18)
InChIKeyVDNRMFIHXMNZLA-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.11
Rot. Bonds7

About 5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide

5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide (PubChem CID 107196857) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide
PubChem CID107196857
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide
SMILESCC(C)COCCNc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H20ClN3O2/c1-8(2)7-19-4-3-17-12-10(13(16)18)5-9(15)6-11(12)14/h5-6,8,17H,3-4,7,15H2,1-2H3,(H2,16,18)
InChIKeyVDNRMFIHXMNZLA-UHFFFAOYSA-N
XLogP2.11
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114128998
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
CID 107194825
5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide
CID 107196713
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
CID 107196156
4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451560
2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine
CID 106890231
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
CID 107196630
5-amino-3-chloro-2-(3-phenylpropylamino)benzamide
CID 107194330

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide (CID 107196857) is 5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide is CC(C)COCCNc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide?
The InChIKey is VDNRMFIHXMNZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8(2)7-19-4-3-17-12-10(13(16)18)5-9(15)6-11(12)14/h5-6,8,17H,3-4,7,15H2,1-2H3,(H2,16,18).
What are the key properties of 5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide?
5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide has a molecular weight of 285.78 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide is sourced from PubChem (CID 107196857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).