4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide

C14H17F3N2O — CID 62409438

IUPAC4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide
SMILESCCNc1ccc(C(=O)NC2CC2C)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-3-18-11-5-4-9(7-10(11)14(15,16)17)13(20)19-12-6-8(12)2/h4-5,7-8,12,18H,3,6H2,1-2H3,(H,19,20)
InChIKeyGFLKLGUIDYUDTQ-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.28
Rot. Bonds4

About 4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide

4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide (PubChem CID 62409438) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide
PubChem CID62409438
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide
SMILESCCNc1ccc(C(=O)NC2CC2C)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-3-18-11-5-4-9(7-10(11)14(15,16)17)13(20)19-12-6-8(12)2/h4-5,7-8,12,18H,3,6H2,1-2H3,(H,19,20)
InChIKeyGFLKLGUIDYUDTQ-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide
CID 62171618
N-(1-cyclopropylethyl)-4-(ethylamino)-3-(trifluoromethyl)benzamide
CID 62168331
N-cyclopropyl-4-(ethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 62167915
4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide
CID 62186743
4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 62186065
N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide
CID 55042364
4-bromo-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 82729029
6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide
CID 113278363
4-iodo-N-(2-methylcyclopropyl)benzamide
CID 58185353
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 119611820
5-chloro-6-(ethylamino)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071772
N-cyclopropyl-4-propan-2-yl-3-(trifluoromethyl)benzamide
CID 70841150

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide (CID 62409438) is 4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide is CCNc1ccc(C(=O)NC2CC2C)cc1C(F)(F)F.
What is the InChIKey of 4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide?
The InChIKey is GFLKLGUIDYUDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-3-18-11-5-4-9(7-10(11)14(15,16)17)13(20)19-12-6-8(12)2/h4-5,7-8,12,18H,3,6H2,1-2H3,(H,19,20).
What are the key properties of 4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide?
4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62409438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).