2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide

C16H23BrF3N3O — CID 170695231

IUPAC2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide
SMILESCNN(C)C(=O)C(CC(C)C)NC(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C16H23BrF3N3O/c1-10(2)9-13(15(24)23(4)21-3)22-14(16(18,19)20)11-5-7-12(17)8-6-11/h5-8,10,13-14,21-22H,9H2,1-4H3
InChIKeyOTOKEOIOEUHCGB-UHFFFAOYSA-N
MW410.28 g/mol
LogP3.65
Rot. Bonds7

About 2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide

2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide (PubChem CID 170695231) has the molecular formula C16H23BrF3N3O and a molecular weight of 410.28 g/mol. Its IUPAC name is 2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide.

Molecular Properties

Compound Name2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide
PubChem CID170695231
Molecular FormulaC16H23BrF3N3O
Molecular Weight410.28 g/mol
Exact Mass409.10
IUPAC Name2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide
SMILESCNN(C)C(=O)C(CC(C)C)NC(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C16H23BrF3N3O/c1-10(2)9-13(15(24)23(4)21-3)22-14(16(18,19)20)11-5-7-12(17)8-6-11/h5-8,10,13-14,21-22H,9H2,1-4H3
InChIKeyOTOKEOIOEUHCGB-UHFFFAOYSA-N
XLogP3.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-4,4-dichlorobutanoic acid
CID 152601846
4-methyl-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanoic acid
CID 76540409
(2S)-2-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanoic acid
CID 57446948
(2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide
CID 50994387
methyl (2S)-2-[[1-(4-bromo-3-fluorophenyl)-2,2,2-trifluoroethyl]amino]-4-methylpentanoate
CID 156807081
(2S,4S)-2-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N-(1-cyanocyclopropyl)-5,5,5-trifluoro-4-methylpentanamide
CID 87345222
4-[4-[(1S)-2,2,2-trifluoro-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]ethyl]phenyl]benzenesulfinate
CID 58176166
(2S)-N-[(2S)-2-amino-4-methylsulfanylbutanoyl]-N,4-dimethyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
CID 16661529
1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43488624
(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(2-methylpropanoyl)phenyl]ethyl]amino]pentanamide
CID 87345360
2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 60781725
N-(cyanomethyl)-4-methyl-2-[[2,2,2-trifluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]amino]pentanamide
CID 74078087

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide?
The IUPAC name of 2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide (CID 170695231) is 2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide.
What is the SMILES notation for 2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide?
The canonical SMILES for 2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide is CNN(C)C(=O)C(CC(C)C)NC(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of 2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide?
The InChIKey is OTOKEOIOEUHCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrF3N3O/c1-10(2)9-13(15(24)23(4)21-3)22-14(16(18,19)20)11-5-7-12(17)8-6-11/h5-8,10,13-14,21-22H,9H2,1-4H3.
What are the key properties of 2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide?
2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide has a molecular weight of 410.28 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N,N',4-trimethylpentanehydrazide is sourced from PubChem (CID 170695231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).