4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide

C10H11F3N2O2 — CID 66276054

IUPAC4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(Oc1cc(C(N)=O)ccc1N)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-5(10(11,12)13)17-8-4-6(9(15)16)2-3-7(8)14/h2-5H,14H2,1H3,(H2,15,16)
InChIKeyRWYLKCLTDLQIHF-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.70
Rot. Bonds3

About 4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide

4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide (PubChem CID 66276054) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide.

Molecular Properties

Compound Name4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
PubChem CID66276054
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(Oc1cc(C(N)=O)ccc1N)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-5(10(11,12)13)17-8-4-6(9(15)16)2-3-7(8)14/h2-5H,14H2,1H3,(H2,15,16)
InChIKeyRWYLKCLTDLQIHF-UHFFFAOYSA-N
XLogP1.70
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.70
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

4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 66276494
3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 56986321
4-bromo-2-(1,1,1-trifluoropropan-2-yloxy)aniline
CID 66274535
4-amino-3-octan-2-yloxybenzamide
CID 63356712
4-amino-3-trimethylsilyloxybenzamide
CID 167720584
4-amino-3-propoxybenzamide
CID 63356295
4-amino-3-(2-methylpentoxy)benzamide
CID 103282893
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide
CID 79680114
3-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)benzenecarbothioamide
CID 66277832
4-amino-3-(propan-2-ylamino)benzamide
CID 63355740
4-amino-3-(3,5-difluorophenoxy)benzamide
CID 55189641

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The IUPAC name of 4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide (CID 66276054) is 4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide.
What is the SMILES notation for 4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The canonical SMILES for 4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide is CC(Oc1cc(C(N)=O)ccc1N)C(F)(F)F.
What is the InChIKey of 4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The InChIKey is RWYLKCLTDLQIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-5(10(11,12)13)17-8-4-6(9(15)16)2-3-7(8)14/h2-5H,14H2,1H3,(H2,15,16).
What are the key properties of 4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide?
4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide has a molecular weight of 248.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 66276054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).