3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide

C14H19F3N2O2 — CID 116628590

IUPAC3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCC(C)C(C)N(C)C(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C14H19F3N2O2/c1-8(2)9(3)19(4)13(20)10-5-6-12(11(18)7-10)21-14(15,16)17/h5-9H,18H2,1-4H3
InChIKeyLIGQZWXBKZYCFY-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.28
Rot. Bonds4

About 3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide

3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 116628590) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
PubChem CID116628590
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCC(C)C(C)N(C)C(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C14H19F3N2O2/c1-8(2)9(3)19(4)13(20)10-5-6-12(11(18)7-10)21-14(15,16)17/h5-9H,18H2,1-4H3
InChIKeyLIGQZWXBKZYCFY-UHFFFAOYSA-N
XLogP3.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide
CID 116628479
3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628550
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide
CID 116628476
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-4-(trifluoromethoxy)benzamide
CID 103100896
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
3-amino-N-(2-methylsulfanylpropyl)-4-(trifluoromethoxy)benzamide
CID 116628993
3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide
CID 116628580
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
3-amino-N-(1-methylcyclopentyl)-4-(trifluoromethoxy)benzamide
CID 116628775
3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide
CID 61107619
3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656487

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide (CID 116628590) is 3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide is CC(C)C(C)N(C)C(=O)c1ccc(OC(F)(F)F)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is LIGQZWXBKZYCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-8(2)9(3)19(4)13(20)10-5-6-12(11(18)7-10)21-14(15,16)17/h5-9H,18H2,1-4H3.
What are the key properties of 3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide?
3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 304.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116628590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).