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

C9H9F3N2O2 — CID 116628466

IUPAC3-amino-N-methyl-4-(trifluoromethoxy)benzamide
SMILESCNC(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C9H9F3N2O2/c1-14-8(15)5-2-3-7(6(13)4-5)16-9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyFWNGRLPNINJHCR-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.53
Rot. Bonds2

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

3-amino-N-methyl-4-(trifluoromethoxy)benzamide (PubChem CID 116628466) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(trifluoromethoxy)benzamide
PubChem CID116628466
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name3-amino-N-methyl-4-(trifluoromethoxy)benzamide
SMILESCNC(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C9H9F3N2O2/c1-14-8(15)5-2-3-7(6(13)4-5)16-9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyFWNGRLPNINJHCR-UHFFFAOYSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.53
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

1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
3-amino-N-(1-methylcyclopentyl)-4-(trifluoromethoxy)benzamide
CID 116628775
3-amino-N-(2-methylsulfanylpropyl)-4-(trifluoromethoxy)benzamide
CID 116628993
3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide
CID 116628580
3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide
CID 116628965
3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
CID 116628568
3-amino-N-(thian-4-yl)-4-(trifluoromethoxy)benzamide
CID 116629037
3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628870
3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628865
3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide
CID 116628479
3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide
CID 82999878
3-amino-4-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-N-methyl-4-(trifluoromethoxy)benzamide (CID 116628466) is 3-amino-N-methyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-N-methyl-4-(trifluoromethoxy)benzamide is CNC(=O)c1ccc(OC(F)(F)F)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(trifluoromethoxy)benzamide?
The InChIKey is FWNGRLPNINJHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-14-8(15)5-2-3-7(6(13)4-5)16-9(10,11)12/h2-4H,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-methyl-4-(trifluoromethoxy)benzamide?
3-amino-N-methyl-4-(trifluoromethoxy)benzamide has a molecular weight of 234.18 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116628466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).