2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide

C12H12ClF3N2O — CID 63659336

IUPAC2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H12ClF3N2O/c13-8-2-1-3-9(17)10(8)11(19)18(7-4-5-7)6-12(14,15)16/h1-3,7H,4-6,17H2
InChIKeyORBLOTKRGASVAV-UHFFFAOYSA-N
MW292.69 g/mol
LogP3.09
Rot. Bonds3

About 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide

2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 63659336) has the molecular formula C12H12ClF3N2O and a molecular weight of 292.69 g/mol. Its IUPAC name is 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID63659336
Molecular FormulaC12H12ClF3N2O
Molecular Weight292.69 g/mol
Exact Mass292.06
IUPAC Name2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H12ClF3N2O/c13-8-2-1-3-9(17)10(8)11(19)18(7-4-5-7)6-12(14,15)16/h1-3,7H,4-6,17H2
InChIKeyORBLOTKRGASVAV-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide (CID 63659336) is 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide is Nc1cccc(Cl)c1C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ORBLOTKRGASVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O/c13-8-2-1-3-9(17)10(8)11(19)18(7-4-5-7)6-12(14,15)16/h1-3,7H,4-6,17H2.
What are the key properties of 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide?
2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 292.69 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 63659336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).