3-amino-N-(5,5,5-trifluoropentyl)benzamide

C12H15F3N2O — CID 113326624

IUPAC3-amino-N-(5,5,5-trifluoropentyl)benzamide
SMILESNc1cccc(C(=O)NCCCCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)6-1-2-7-17-11(18)9-4-3-5-10(16)8-9/h3-5,8H,1-2,6-7,16H2,(H,17,18)
InChIKeyBKQBJCSJRWTSRP-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.73
Rot. Bonds5

About 3-amino-N-(5,5,5-trifluoropentyl)benzamide

3-amino-N-(5,5,5-trifluoropentyl)benzamide (PubChem CID 113326624) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-amino-N-(5,5,5-trifluoropentyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(5,5,5-trifluoropentyl)benzamide
PubChem CID113326624
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-amino-N-(5,5,5-trifluoropentyl)benzamide
SMILESNc1cccc(C(=O)NCCCCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)6-1-2-7-17-11(18)9-4-3-5-10(16)8-9/h3-5,8H,1-2,6-7,16H2,(H,17,18)
InChIKeyBKQBJCSJRWTSRP-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115522139
4-amino-3-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 115519387
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694
5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 115514902
3-amino-5-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326593
3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 119737424
3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
CID 119763189
3-[(3-aminobenzoyl)amino]propyl sulfamate
CID 121382844
3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide
CID 119748277
3-amino-4-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326613
3-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839347

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,5,5-trifluoropentyl)benzamide?
The IUPAC name of 3-amino-N-(5,5,5-trifluoropentyl)benzamide (CID 113326624) is 3-amino-N-(5,5,5-trifluoropentyl)benzamide.
What is the SMILES notation for 3-amino-N-(5,5,5-trifluoropentyl)benzamide?
The canonical SMILES for 3-amino-N-(5,5,5-trifluoropentyl)benzamide is Nc1cccc(C(=O)NCCCCC(F)(F)F)c1.
What is the InChIKey of 3-amino-N-(5,5,5-trifluoropentyl)benzamide?
The InChIKey is BKQBJCSJRWTSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)6-1-2-7-17-11(18)9-4-3-5-10(16)8-9/h3-5,8H,1-2,6-7,16H2,(H,17,18).
What are the key properties of 3-amino-N-(5,5,5-trifluoropentyl)benzamide?
3-amino-N-(5,5,5-trifluoropentyl)benzamide has a molecular weight of 260.26 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,5,5-trifluoropentyl)benzamide is sourced from PubChem (CID 113326624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).