5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

C10H10ClF3N2O — CID 60893071

IUPAC5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C10H10ClF3N2O/c1-16(5-10(12,13)14)9(17)7-4-6(15)2-3-8(7)11/h2-4H,5,15H2,1H3
InChIKeyIKSHXDSMDXPYCB-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.56
Rot. Bonds2

About 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60893071) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60893071
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C10H10ClF3N2O/c1-16(5-10(12,13)14)9(17)7-4-6(15)2-3-8(7)11/h2-4H,5,15H2,1H3
InChIKeyIKSHXDSMDXPYCB-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate
CID 54969553
5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913729
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892304
4-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226216
4-chloro-2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371341
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
5-amino-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 61107084
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486
2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54904342
5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 60893071) is 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is CN(CC(F)(F)F)C(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IKSHXDSMDXPYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c1-16(5-10(12,13)14)9(17)7-4-6(15)2-3-8(7)11/h2-4H,5,15H2,1H3.
What are the key properties of 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 266.65 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60893071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).