3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

C15H19F3N2O — CID 60939378

IUPAC3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)N(CC(F)(F)F)C(C)C2CC2)cc1N
InChIInChI=1S/C15H19F3N2O/c1-9-3-4-12(7-13(9)19)14(21)20(8-15(16,17)18)10(2)11-5-6-11/h3-4,7,10-11H,5-6,8,19H2,1-2H3
InChIKeyOHZUUEKDYXSZLZ-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.38
Rot. Bonds4

About 3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60939378) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60939378
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)N(CC(F)(F)F)C(C)C2CC2)cc1N
InChIInChI=1S/C15H19F3N2O/c1-9-3-4-12(7-13(9)19)14(21)20(8-15(16,17)18)10(2)11-5-6-11/h3-4,7,10-11H,5-6,8,19H2,1-2H3
InChIKeyOHZUUEKDYXSZLZ-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 ≤ 500300.32
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

3,5-diamino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106090
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 42915108
N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 60715950
3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629074
N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 95280380
2-amino-N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 63110222
2-amino-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106833
N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 60716731
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328
N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105380482
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629066
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 60939378) is 3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(C(=O)N(CC(F)(F)F)C(C)C2CC2)cc1N.
What is the InChIKey of 3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is OHZUUEKDYXSZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-9-3-4-12(7-13(9)19)14(21)20(8-15(16,17)18)10(2)11-5-6-11/h3-4,7,10-11H,5-6,8,19H2,1-2H3.
What are the key properties of 3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 300.32 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 3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60939378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).