N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide

C19H19BrF4N4O — CID 46562896

IUPACN-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1F)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19BrF4N4O/c1-12(18(29)26-16-4-3-14(20)10-15(16)21)27-6-8-28(9-7-27)17-5-2-13(11-25-17)19(22,23)24/h2-5,10-12H,6-9H2,1H3,(H,26,29)
InChIKeyHRBYFFDWFQZWCY-UHFFFAOYSA-N
MW475.28 g/mol
LogP4.15
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide

N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide (PubChem CID 46562896) has the molecular formula C19H19BrF4N4O and a molecular weight of 475.28 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
PubChem CID46562896
Molecular FormulaC19H19BrF4N4O
Molecular Weight475.28 g/mol
Exact Mass474.07
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1F)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19BrF4N4O/c1-12(18(29)26-16-4-3-14(20)10-15(16)21)27-6-8-28(9-7-27)17-5-2-13(11-25-17)19(22,23)24/h2-5,10-12H,6-9H2,1H3,(H,26,29)
InChIKeyHRBYFFDWFQZWCY-UHFFFAOYSA-N
XLogP4.15
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 42891930
N-[2-(trifluoromethyl)phenyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 24507173
(2S)-N-(2,5-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 26375799
N-(3,5-dimethoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 17427733
(2R)-N-(3-acetylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 9288536
(2S)-N-(2,6-dichlorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 31482613
(2S)-N-(4-sulfamoylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 29431320
N-[2-(difluoromethoxy)phenyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 55432372
N-prop-2-enyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 51243330
4-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 55682508
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444011
N-(4-bromo-2-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46631128

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide (CID 46562896) is N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide is CC(C(=O)Nc1ccc(Br)cc1F)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The InChIKey is HRBYFFDWFQZWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF4N4O/c1-12(18(29)26-16-4-3-14(20)10-15(16)21)27-6-8-28(9-7-27)17-5-2-13(11-25-17)19(22,23)24/h2-5,10-12H,6-9H2,1H3,(H,26,29).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide has a molecular weight of 475.28 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 46562896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).