3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide

C13H15F3N2O2 — CID 116628568

IUPAC3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
SMILESNc1cc(C(=O)NCC2CCC2)ccc1OC(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-5-4-9(6-10(11)17)12(19)18-7-8-2-1-3-8/h4-6,8H,1-3,7,17H2,(H,18,19)
InChIKeyZFMYSZXHSXJDPF-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.70
Rot. Bonds4

About 3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide

3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide (PubChem CID 116628568) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
PubChem CID116628568
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
SMILESNc1cc(C(=O)NCC2CCC2)ccc1OC(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-5-4-9(6-10(11)17)12(19)18-7-8-2-1-3-8/h4-6,8H,1-3,7,17H2,(H,18,19)
InChIKeyZFMYSZXHSXJDPF-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628865
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3-amino-N-(1-methylcyclopentyl)-4-(trifluoromethoxy)benzamide
CID 116628775
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
3-amino-N-(thian-4-yl)-4-(trifluoromethoxy)benzamide
CID 116629037
3-amino-4-bromo-N-(cyclopentylmethyl)benzamide
CID 61095376
3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide
CID 116628580
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide
CID 116628965
3-amino-N-(2-methylsulfanylpropyl)-4-(trifluoromethoxy)benzamide
CID 116628993
3-amino-N-(2-cyclopentylethyl)-4-methoxybenzamide
CID 54932498

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide (CID 116628568) is 3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide is Nc1cc(C(=O)NCC2CCC2)ccc1OC(F)(F)F.
What is the InChIKey of 3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is ZFMYSZXHSXJDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-5-4-9(6-10(11)17)12(19)18-7-8-2-1-3-8/h4-6,8H,1-3,7,17H2,(H,18,19).
What are the key properties of 3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide?
3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 288.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116628568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).