5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide

C12H15ClF3N3O — CID 107196445

IUPAC5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCCCC(F)(F)F
InChIInChI=1S/C12H15ClF3N3O/c13-9-6-7(17)5-8(11(18)20)10(9)19-4-2-1-3-12(14,15)16/h5-6,19H,1-4,17H2,(H2,18,20)
InChIKeyCHTOOQFKHWACDZ-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.17
Rot. Bonds6

About 5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide

5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide (PubChem CID 107196445) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide
PubChem CID107196445
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCCCC(F)(F)F
InChIInChI=1S/C12H15ClF3N3O/c13-9-6-7(17)5-8(11(18)20)10(9)19-4-2-1-3-12(14,15)16/h5-6,19H,1-4,17H2,(H2,18,20)
InChIKeyCHTOOQFKHWACDZ-UHFFFAOYSA-N
XLogP3.17
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Benzamide, 5-chloro-2-(methylamino)-
CID 97387
3-Amino-n-(4-amino-2-chlorophenyl)benzamide
CID 760024
Benzamide, N-(2-chlorophenyl)-2-((3-(trifluoromethyl)phenyl)amino)-
CID 210202
Benzamide, 5-chloro-N-methyl-2-(methylamino)-
CID 120519
5-Chloro-N-(2-chlorophenyl)-2-(methylamino)benzene-1-carboximidic acid
CID 208613
Benzamide, N-(2,5-dichlorophenyl)-2-((3-(trifluoromethyl)phenyl)amino)-
CID 210405
n-(2-Chlorophenyl)-2-(methylamino)benzamide
CID 288565
2-[[2-[2-Chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]amino]benzamide
CID 31526255
8-chloro-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 172446046
2-amino-5-(3-chloro-4-fluoroanilino)-N-(2-chloro-6-methylphenyl)benzamide
CID 177656682
2-amino-N-(2-chloro-4-fluorophenyl)benzamide
CID 16769541
4-Chloro-5-Nitro-2-[(3,4,5-Trifluorobenzyl)amino]benzamide
CID 57519670

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide (CID 107196445) is 5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide is NC(=O)c1cc(N)cc(Cl)c1NCCCCC(F)(F)F.
What is the InChIKey of 5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide?
The InChIKey is CHTOOQFKHWACDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c13-9-6-7(17)5-8(11(18)20)10(9)19-4-2-1-3-12(14,15)16/h5-6,19H,1-4,17H2,(H2,18,20).
What are the key properties of 5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide?
5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide has a molecular weight of 309.72 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(5,5,5-trifluoropentylamino)benzamide is sourced from PubChem (CID 107196445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).