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

C9H9F3N2O — CID 62156394

IUPAC4-amino-N-methyl-3-(trifluoromethyl)benzamide
SMILESCNC(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O/c1-14-8(15)5-2-3-7(13)6(4-5)9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyAIDMFPRPJVPPOD-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.65
Rot. Bonds1

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

4-amino-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 62156394) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID62156394
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name4-amino-N-methyl-3-(trifluoromethyl)benzamide
SMILESCNC(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O/c1-14-8(15)5-2-3-7(13)6(4-5)9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyAIDMFPRPJVPPOD-UHFFFAOYSA-N
XLogP1.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62153422
4-amino-N-(4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 63004218
4-amino-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62155637
4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62154697
4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide
CID 62153973
4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide
CID 62199911
4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide
CID 114540505
4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 62185340
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
4-amino-N-[3-[(3-aminobenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 135301189
N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide
CID 55042364

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-methyl-3-(trifluoromethyl)benzamide (CID 62156394) is 4-amino-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-methyl-3-(trifluoromethyl)benzamide is CNC(=O)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is AIDMFPRPJVPPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-14-8(15)5-2-3-7(13)6(4-5)9(10,11)12/h2-4H,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-methyl-3-(trifluoromethyl)benzamide?
4-amino-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 218.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62156394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).