4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide

C15H17F3N2O — CID 64521049

IUPAC4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)N(CC2CC2)C2CC2)cc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)12-7-10(3-6-13(12)19)14(21)20(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8,19H2
InChIKeyJIZWQIPVNYFTCY-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.30
Rot. Bonds4

About 4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide

4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 64521049) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID64521049
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)N(CC2CC2)C2CC2)cc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)12-7-10(3-6-13(12)19)14(21)20(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8,19H2
InChIKeyJIZWQIPVNYFTCY-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(cyclopropylmethyl)-N-propan-2-yl-3-(trifluoromethyl)benzamide
CID 62185001
4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62156411
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 63862980
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95054883
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide
CID 60963343
4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide
CID 62160495
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986
4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide
CID 63707294
[4-amino-3-(trifluoromethyl)phenyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106673725
N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62242272
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
CID 102705640

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide (CID 64521049) is 4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide is Nc1ccc(C(=O)N(CC2CC2)C2CC2)cc1C(F)(F)F.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is JIZWQIPVNYFTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c16-15(17,18)12-7-10(3-6-13(12)19)14(21)20(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8,19H2.
What are the key properties of 4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide?
4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 298.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 64521049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).