2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide

C14H19F3N2O2 — CID 80034152

IUPAC2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCCC(COC)NC(=O)C1=C(C(=CC=C1)C(F)(F)F)N
InChIInChI=1S/C14H19F3N2O2/c1-3-5-9(8-21-2)19-13(20)10-6-4-7-11(12(10)18)14(15,16)17/h4,6-7,9H,3,5,8,18H2,1-2H3,(H,19,20)
InChIKeyAFAVKGSEPSZNKO-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.10
Rot. Bonds6

About 2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide

2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 80034152) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID80034152
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCCC(COC)NC(=O)C1=C(C(=CC=C1)C(F)(F)F)N
InChIInChI=1S/C14H19F3N2O2/c1-3-5-9(8-21-2)19-13(20)10-6-4-7-11(12(10)18)14(15,16)17/h4,6-7,9H,3,5,8,18H2,1-2H3,(H,19,20)
InChIKeyAFAVKGSEPSZNKO-UHFFFAOYSA-N
XLogP3.10
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity337

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide (CID 80034152) is 2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide is CCCC(COC)NC(=O)C1=C(C(=CC=C1)C(F)(F)F)N.
What is the InChIKey of 2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is AFAVKGSEPSZNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-3-5-9(8-21-2)19-13(20)10-6-4-7-11(12(10)18)14(15,16)17/h4,6-7,9H,3,5,8,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide?
2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 304.31 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 80034152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).