4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide

C19H25F3N2O3 — CID 175412566

IUPAC4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OC(F)C(F)F)c1)C(C)(C)C
InChIInChI=1S/C19H25F3N2O3/c1-19(2,3)14(18(26)23-4)24-17(25)11-7-8-12(10-5-6-10)13(9-11)27-16(22)15(20)21/h7-10,14-16H,5-6H2,1-4H3,(H,23,26)(H,24,25)/t14-,16?/m1/s1
InChIKeyHALLKHALTUHHHE-IURRXHLWSA-N
MW386.41 g/mol
LogP3.39
Rot. Bonds7

About 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide

4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide (PubChem CID 175412566) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide
PubChem CID175412566
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OC(F)C(F)F)c1)C(C)(C)C
InChIInChI=1S/C19H25F3N2O3/c1-19(2,3)14(18(26)23-4)24-17(25)11-7-8-12(10-5-6-10)13(9-11)27-16(22)15(20)21/h7-10,14-16H,5-6H2,1-4H3,(H,23,26)(H,24,25)/t14-,16?/m1/s1
InChIKeyHALLKHALTUHHHE-IURRXHLWSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide (CID 175412566) is 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide is CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OC(F)C(F)F)c1)C(C)(C)C.
What is the InChIKey of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide?
The InChIKey is HALLKHALTUHHHE-IURRXHLWSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-19(2,3)14(18(26)23-4)24-17(25)11-7-8-12(10-5-6-10)13(9-11)27-16(22)15(20)21/h7-10,14-16H,5-6H2,1-4H3,(H,23,26)(H,24,25)/t14-,16?/m1/s1.
What are the key properties of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide?
4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide has a molecular weight of 386.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(1,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 175412566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).