5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

C12H13F5N2O — CID 61109258

IUPAC5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H13F5N2O/c1-6(2)19(5-12(15,16)17)11(20)7-3-10(18)9(14)4-8(7)13/h3-4,6H,5,18H2,1-2H3
InChIKeyRAHDMVNQSICOFZ-UHFFFAOYSA-N
MW296.24 g/mol
LogP2.96
Rot. Bonds3

About 5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 61109258) has the molecular formula C12H13F5N2O and a molecular weight of 296.24 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID61109258
Molecular FormulaC12H13F5N2O
Molecular Weight296.24 g/mol
Exact Mass296.09
IUPAC Name5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H13F5N2O/c1-6(2)19(5-12(15,16)17)11(20)7-3-10(18)9(14)4-8(7)13/h3-4,6H,5,18H2,1-2H3
InChIKeyRAHDMVNQSICOFZ-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.96
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

5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 61094085
5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 61093096
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328
2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62235512
5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62180458
5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 62814927
5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61109173
5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
CID 61095171
5-amino-N,N-dibutyl-2,4-difluorobenzamide
CID 61095334
4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62682783
5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide
CID 61139702
2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 113228638

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (CID 61109258) is 5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is CC(C)N(CC(F)(F)F)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RAHDMVNQSICOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2O/c1-6(2)19(5-12(15,16)17)11(20)7-3-10(18)9(14)4-8(7)13/h3-4,6H,5,18H2,1-2H3.
What are the key properties of 5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 296.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 61109258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).