N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide

C20H21F3N2O2 — CID 166235083

IUPACN-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(F)F)ccc1C(=O)NC(CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C20H21F3N2O2/c1-13-11-15(20(21,22)23)9-10-16(13)19(27)24-17(12-18(26)25(2)3)14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3,(H,24,27)
InChIKeyMYFCDFVWIUDMBC-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.96
Rot. Bonds5

About N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide

N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide (PubChem CID 166235083) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide
PubChem CID166235083
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(F)F)ccc1C(=O)NC(CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C20H21F3N2O2/c1-13-11-15(20(21,22)23)9-10-16(13)19(27)24-17(12-18(26)25(2)3)14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3,(H,24,27)
InChIKeyMYFCDFVWIUDMBC-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide (CID 166235083) is N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide is Cc1cc(C(F)(F)F)ccc1C(=O)NC(CC(=O)N(C)C)c1ccccc1.
What is the InChIKey of N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is MYFCDFVWIUDMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-13-11-15(20(21,22)23)9-10-16(13)19(27)24-17(12-18(26)25(2)3)14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3,(H,24,27).
What are the key properties of N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide?
N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 378.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 166235083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).