5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide

C12H14ClF3N2O — CID 115514902

IUPAC5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide
SMILESNc1ccc(Cl)c(C(=O)NCCCCC(F)(F)F)c1
InChIInChI=1S/C12H14ClF3N2O/c13-10-4-3-8(17)7-9(10)11(19)18-6-2-1-5-12(14,15)16/h3-4,7H,1-2,5-6,17H2,(H,18,19)
InChIKeyGBTAHPZJNHQFDZ-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.38
Rot. Bonds5

About 5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide

5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide (PubChem CID 115514902) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide
PubChem CID115514902
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide
SMILESNc1ccc(Cl)c(C(=O)NCCCCC(F)(F)F)c1
InChIInChI=1S/C12H14ClF3N2O/c13-10-4-3-8(17)7-9(10)11(19)18-6-2-1-5-12(14,15)16/h3-4,7H,1-2,5-6,17H2,(H,18,19)
InChIKeyGBTAHPZJNHQFDZ-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.38
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

4-amino-3-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 115519387
3-amino-N-(5,5,5-trifluoropentyl)benzamide
CID 113326624
3-amino-4-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326613
2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839346
5-amino-2-(5,5,5-trifluoropentylamino)benzoic acid
CID 115521856
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
CID 50851078
5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 115514877
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
3-amino-5-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326593
5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 29286863

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide (CID 115514902) is 5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide is Nc1ccc(Cl)c(C(=O)NCCCCC(F)(F)F)c1.
What is the InChIKey of 5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide?
The InChIKey is GBTAHPZJNHQFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c13-10-4-3-8(17)7-9(10)11(19)18-6-2-1-5-12(14,15)16/h3-4,7H,1-2,5-6,17H2,(H,18,19).
What are the key properties of 5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide?
5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide has a molecular weight of 294.70 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide is sourced from PubChem (CID 115514902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).