3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

C14H18F4N2O — CID 61107685

IUPAC3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C14H18F4N2O/c1-3-4-5-20(8-14(16,17)18)13(21)10-6-11(15)9(2)12(19)7-10/h6-7H,3-5,8,19H2,1-2H3
InChIKeyHCRNPJUSDSHHEO-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.52
Rot. Bonds5

About 3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 61107685) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is 3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID61107685
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC Name3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C14H18F4N2O/c1-3-4-5-20(8-14(16,17)18)13(21)10-6-11(15)9(2)12(19)7-10/h6-7H,3-5,8,19H2,1-2H3
InChIKeyHCRNPJUSDSHHEO-UHFFFAOYSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide
CID 54927290
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
N,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520
N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187331
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883501
3-amino-5-fluoro-N,4-dimethyl-N-(3-methylsulfanylpropyl)benzamide
CID 114236428
3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide
CID 60862359
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 61107524
3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 60861699
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 61107685) is 3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is CCCCN(CC(F)(F)F)C(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is HCRNPJUSDSHHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-3-4-5-20(8-14(16,17)18)13(21)10-6-11(15)9(2)12(19)7-10/h6-7H,3-5,8,19H2,1-2H3.
What are the key properties of 3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 306.30 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 61107685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).