2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide

C17H23F4N3O — CID 77305875

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)N1CCN(CC(C(N)=O)c2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C17H23F4N3O/c1-11(2)24-7-5-23(6-8-24)10-13(16(22)25)12-3-4-14(15(18)9-12)17(19,20)21/h3-4,9,11,13H,5-8,10H2,1-2H3,(H2,22,25)
InChIKeyAGMZCWNZOBKJBL-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.44
Rot. Bonds5

About 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide

2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide (PubChem CID 77305875) has the molecular formula C17H23F4N3O and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide
PubChem CID77305875
Molecular FormulaC17H23F4N3O
Molecular Weight361.38 g/mol
Exact Mass361.18
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)N1CCN(CC(C(N)=O)c2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C17H23F4N3O/c1-11(2)24-7-5-23(6-8-24)10-13(16(22)25)12-3-4-14(15(18)9-12)17(19,20)21/h3-4,9,11,13H,5-8,10H2,1-2H3,(H2,22,25)
InChIKeyAGMZCWNZOBKJBL-UHFFFAOYSA-N
XLogP2.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide (CID 77305875) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide is CC(C)N1CCN(CC(C(N)=O)c2ccc(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide?
The InChIKey is AGMZCWNZOBKJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F4N3O/c1-11(2)24-7-5-23(6-8-24)10-13(16(22)25)12-3-4-14(15(18)9-12)17(19,20)21/h3-4,9,11,13H,5-8,10H2,1-2H3,(H2,22,25).
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide?
2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide has a molecular weight of 361.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 77305875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).