N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide

C12H14F4N2O — CID 112701403

IUPACN-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
SMILESCC(CN)N(C)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H14F4N2O/c1-7(6-17)18(2)11(19)8-4-3-5-9(10(8)13)12(14,15)16/h3-5,7H,6,17H2,1-2H3
InChIKeyUKTXMKMJAZODAM-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.26
Rot. Bonds3

About N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide

N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 112701403) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID112701403
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC NameN-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
SMILESCC(CN)N(C)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H14F4N2O/c1-7(6-17)18(2)11(19)8-4-3-5-9(10(8)13)12(14,15)16/h3-5,7H,6,17H2,1-2H3
InChIKeyUKTXMKMJAZODAM-UHFFFAOYSA-N
XLogP2.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide (CID 112701403) is N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide is CC(CN)N(C)C(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is UKTXMKMJAZODAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-7(6-17)18(2)11(19)8-4-3-5-9(10(8)13)12(14,15)16/h3-5,7H,6,17H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide?
N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 278.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 112701403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).