5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride

C12H16ClF3N2O2 — CID 120620047

IUPAC5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCCOCC(F)(F)F.Cl
InChIInChI=1S/C12H15F3N2O2.ClH/c1-8-2-3-9(16)6-10(8)11(18)17-4-5-19-7-12(13,14)15;/h2-3,6H,4-5,7,16H2,1H3,(H,17,18);1H
InChIKeyHSCHLUVDBPHLKV-UHFFFAOYSA-N
MW312.72 g/mol
LogP2.31
Rot. Bonds5

About 5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride

5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride (PubChem CID 120620047) has the molecular formula C12H16ClF3N2O2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride
PubChem CID120620047
Molecular FormulaC12H16ClF3N2O2
Molecular Weight312.72 g/mol
Exact Mass312.09
IUPAC Name5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCCOCC(F)(F)F.Cl
InChIInChI=1S/C12H15F3N2O2.ClH/c1-8-2-3-9(16)6-10(8)11(18)17-4-5-19-7-12(13,14)15;/h2-3,6H,4-5,7,16H2,1H3,(H,17,18);1H
InChIKeyHSCHLUVDBPHLKV-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
CID 63824926
2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 55261445
5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
CID 120618901
3-amino-5-bromo-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 107872781
4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide
CID 167303302
5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride
CID 120641796
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate
CID 120633675
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86929041

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride (CID 120620047) is 5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NCCOCC(F)(F)F.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride?
The InChIKey is HSCHLUVDBPHLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2.ClH/c1-8-2-3-9(16)6-10(8)11(18)17-4-5-19-7-12(13,14)15;/h2-3,6H,4-5,7,16H2,1H3,(H,17,18);1H.
What are the key properties of 5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride?
5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride has a molecular weight of 312.72 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 120620047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).