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

C12H16F3N3O — CID 112579360

IUPAC3-amino-2-(5,5,5-trifluoropentylamino)benzamide
SMILESNC(=O)c1cccc(N)c1NCCCCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)6-1-2-7-18-10-8(11(17)19)4-3-5-9(10)16/h3-5,18H,1-2,6-7,16H2,(H2,17,19)
InChIKeyNWTOLQZOGKMXCN-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.51
Rot. Bonds6

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

3-amino-2-(5,5,5-trifluoropentylamino)benzamide (PubChem CID 112579360) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-amino-2-(5,5,5-trifluoropentylamino)benzamide.

Molecular Properties

Compound Name3-amino-2-(5,5,5-trifluoropentylamino)benzamide
PubChem CID112579360
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name3-amino-2-(5,5,5-trifluoropentylamino)benzamide
SMILESNC(=O)c1cccc(N)c1NCCCCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)6-1-2-7-18-10-8(11(17)19)4-3-5-9(10)16/h3-5,18H,1-2,6-7,16H2,(H2,17,19)
InChIKeyNWTOLQZOGKMXCN-UHFFFAOYSA-N
XLogP2.51
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.51
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'}

Analyze 3-amino-2-(5,5,5-trifluoropentylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide
CID 112579002
3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide
CID 115934739
3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide
CID 114098632
3-amino-2-[2-(furan-2-yl)ethylamino]benzamide
CID 112578443
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
2-amino-5-(5,5,5-trifluoropentylamino)benzoic acid
CID 115521860
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046
3-amino-2-(2-pyridin-2-ylethylamino)benzamide
CID 112577927
2-amino-5-(4,4,4-trifluorobutylamino)benzoic acid
CID 115521848
2-amino-3-(4,4,4-trifluorobutoxy)benzamide
CID 82787642
3-amino-2-(3-phenylpropylamino)benzoic acid
CID 115934219
ethyl 3-amino-2-(octylamino)benzoate
CID 115935432

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5,5,5-trifluoropentylamino)benzamide?
The IUPAC name of 3-amino-2-(5,5,5-trifluoropentylamino)benzamide (CID 112579360) is 3-amino-2-(5,5,5-trifluoropentylamino)benzamide.
What is the SMILES notation for 3-amino-2-(5,5,5-trifluoropentylamino)benzamide?
The canonical SMILES for 3-amino-2-(5,5,5-trifluoropentylamino)benzamide is NC(=O)c1cccc(N)c1NCCCCC(F)(F)F.
What is the InChIKey of 3-amino-2-(5,5,5-trifluoropentylamino)benzamide?
The InChIKey is NWTOLQZOGKMXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)6-1-2-7-18-10-8(11(17)19)4-3-5-9(10)16/h3-5,18H,1-2,6-7,16H2,(H2,17,19).
What are the key properties of 3-amino-2-(5,5,5-trifluoropentylamino)benzamide?
3-amino-2-(5,5,5-trifluoropentylamino)benzamide has a molecular weight of 275.27 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5,5,5-trifluoropentylamino)benzamide is sourced from PubChem (CID 112579360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).