5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide

C11H13ClF3N3O — CID 107196149

IUPAC5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide
SMILESCN(CCC(F)(F)F)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C11H13ClF3N3O/c1-18(3-2-11(13,14)15)9-7(10(17)19)4-6(16)5-8(9)12/h4-5H,2-3,16H2,1H3,(H2,17,19)
InChIKeyZRSXBBRWTZRUQJ-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.41
Rot. Bonds4

About 5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide

5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide (PubChem CID 107196149) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide
PubChem CID107196149
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide
SMILESCN(CCC(F)(F)F)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C11H13ClF3N3O/c1-18(3-2-11(13,14)15)9-7(10(17)19)4-6(16)5-8(9)12/h4-5H,2-3,16H2,1H3,(H2,17,19)
InChIKeyZRSXBBRWTZRUQJ-UHFFFAOYSA-N
XLogP2.41
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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4-Chloro-2-(prop-2-enylamino)benzamide
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2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]benzamide
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CID 67551071
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CID 88539283
5-Chloro-2-(4,4,4-trifluorobutylamino)benzamide
CID 118058845
3-[[(1S)-1-(8-chloro-6-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]benzamide
CID 135378287
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(methylamino)benzamide
CID 139521867
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3-chloro-5-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide
CID 140752535

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide (CID 107196149) is 5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide is CN(CCC(F)(F)F)c1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide?
The InChIKey is ZRSXBBRWTZRUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-18(3-2-11(13,14)15)9-7(10(17)19)4-6(16)5-8(9)12/h4-5H,2-3,16H2,1H3,(H2,17,19).
What are the key properties of 5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide?
5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide has a molecular weight of 295.69 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[methyl(3,3,3-trifluoropropyl)amino]benzamide is sourced from PubChem (CID 107196149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).