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

C14H18F4N2O — CID 103296108

IUPAC5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(N)cc(C(=O)N(CC(C)C)CC(F)(F)F)c1F
InChIInChI=1S/C14H18F4N2O/c1-8(2)6-20(7-14(16,17)18)13(21)11-5-10(19)4-9(3)12(11)15/h4-5,8H,6-7,19H2,1-3H3
InChIKeyGNDKODHBOBAJFN-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.38
Rot. Bonds4

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

5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 103296108) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID103296108
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC Name5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(N)cc(C(=O)N(CC(C)C)CC(F)(F)F)c1F
InChIInChI=1S/C14H18F4N2O/c1-8(2)6-20(7-14(16,17)18)13(21)11-5-10(19)4-9(3)12(11)15/h4-5,8H,6-7,19H2,1-3H3
InChIKeyGNDKODHBOBAJFN-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.38
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-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide
CID 103296632
5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296950
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803
5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 103295951
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 63997221
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61108683
4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 86938126
5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide
CID 103295866
5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 103296755

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 103296108) is 5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(N)cc(C(=O)N(CC(C)C)CC(F)(F)F)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is GNDKODHBOBAJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-8(2)6-20(7-14(16,17)18)13(21)11-5-10(19)4-9(3)12(11)15/h4-5,8H,6-7,19H2,1-3H3.
What are the key properties of 5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 306.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 103296108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).