N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide

C19H23F3N2O3 — CID 175412561

IUPACN-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide
SMILESCC(CC(N)=O)(NC(=O)c1ccc(C2CC2)c(OC(F)C(F)F)c1)C1CC1
InChIInChI=1S/C19H23F3N2O3/c1-19(9-15(23)25,12-5-6-12)24-18(26)11-4-7-13(10-2-3-10)14(8-11)27-17(22)16(20)21/h4,7-8,10,12,16-17H,2-3,5-6,9H2,1H3,(H2,23,25)(H,24,26)
InChIKeyYQEPZWALWSGGGG-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.28
Rot. Bonds9

About N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide

N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide (PubChem CID 175412561) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide
PubChem CID175412561
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC NameN-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide
SMILESCC(CC(N)=O)(NC(=O)c1ccc(C2CC2)c(OC(F)C(F)F)c1)C1CC1
InChIInChI=1S/C19H23F3N2O3/c1-19(9-15(23)25,12-5-6-12)24-18(26)11-4-7-13(10-2-3-10)14(8-11)27-17(22)16(20)21/h4,7-8,10,12,16-17H,2-3,5-6,9H2,1H3,(H2,23,25)(H,24,26)
InChIKeyYQEPZWALWSGGGG-UHFFFAOYSA-N
XLogP3.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide (CID 175412561) is N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide is CC(CC(N)=O)(NC(=O)c1ccc(C2CC2)c(OC(F)C(F)F)c1)C1CC1.
What is the InChIKey of N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide?
The InChIKey is YQEPZWALWSGGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c1-19(9-15(23)25,12-5-6-12)24-18(26)11-4-7-13(10-2-3-10)14(8-11)27-17(22)16(20)21/h4,7-8,10,12,16-17H,2-3,5-6,9H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide?
N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide has a molecular weight of 384.40 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 175412561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).