4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide

C14H19F3N2O2 — CID 104765588

IUPAC4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide
SMILESCNc1ccc(C(=O)NCCOC(C)C)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-9(2)21-7-6-19-13(20)10-4-5-12(18-3)11(8-10)14(15,16)17/h4-5,8-9,18H,6-7H2,1-3H3,(H,19,20)
InChIKeyCLIRKSGAGFCQGY-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.90
Rot. Bonds6

About 4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide

4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide (PubChem CID 104765588) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide
PubChem CID104765588
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide
SMILESCNc1ccc(C(=O)NCCOC(C)C)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-9(2)21-7-6-19-13(20)10-4-5-12(18-3)11(8-10)14(15,16)17/h4-5,8-9,18H,6-7H2,1-3H3,(H,19,20)
InChIKeyCLIRKSGAGFCQGY-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
CID 62171664
4-(methylamino)-N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)benzamide
CID 63964007
3-(methylamino)-4-nitro-N-(2-propan-2-yloxyethyl)benzamide
CID 104765549
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 104578560
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide
CID 104578530
4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 62169200
4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide
CID 62171618
4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62165965
2-(methylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450456
4-methyl-2-(methylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 104765563
4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide
CID 81433232

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide (CID 104765588) is 4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide is CNc1ccc(C(=O)NCCOC(C)C)cc1C(F)(F)F.
What is the InChIKey of 4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is CLIRKSGAGFCQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9(2)21-7-6-19-13(20)10-4-5-12(18-3)11(8-10)14(15,16)17/h4-5,8-9,18H,6-7H2,1-3H3,(H,19,20).
What are the key properties of 4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide?
4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 304.31 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 104765588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).