N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide

C24H22Cl2F3N3O2 — CID 11713229

IUPACN'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide
SMILESCC(C)(Oc1ccc(C(F)(F)F)cn1)C(=O)NNC(Cc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C24H22Cl2F3N3O2/c1-23(2,34-21-11-8-17(14-30-21)24(27,28)29)22(33)32-31-20(16-4-3-5-19(26)13-16)12-15-6-9-18(25)10-7-15/h3-11,13-14,20,31H,12H2,1-2H3,(H,32,33)
InChIKeyWWFXJTFKEFTCAW-UHFFFAOYSA-N
MW512.36 g/mol
LogP6.17
Rot. Bonds8

About N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide

N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide (PubChem CID 11713229) has the molecular formula C24H22Cl2F3N3O2 and a molecular weight of 512.36 g/mol. Its IUPAC name is N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide.

Molecular Properties

Compound NameN'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide
PubChem CID11713229
Molecular FormulaC24H22Cl2F3N3O2
Molecular Weight512.36 g/mol
Exact Mass511.10
IUPAC NameN'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide
SMILESCC(C)(Oc1ccc(C(F)(F)F)cn1)C(=O)NNC(Cc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C24H22Cl2F3N3O2/c1-23(2,34-21-11-8-17(14-30-21)24(27,28)29)22(33)32-31-20(16-4-3-5-19(26)13-16)12-15-6-9-18(25)10-7-15/h3-11,13-14,20,31H,12H2,1-2H3,(H,32,33)
InChIKeyWWFXJTFKEFTCAW-UHFFFAOYSA-N
XLogP6.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.36
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide
CID 11512352
3-[(3S)-1-(4-chlorophenyl)-3-[[2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]butan-2-yl]benzamide
CID 163924092
N-[3-[3-(2-amino-2-oxoethoxy)phenyl]-4-(4-chlorophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 59846824
N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 69145260
N-[3-[3-(2-amino-2-iminoethoxy)phenyl]-4-(4-chlorophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25119024
6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide
CID 59846819
N-[(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-hydroxybutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 10483459
N-[(2S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)-3-fluorobutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 11756895
N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]-2-methylpropanamide
CID 142807556
N-[(2S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)-3-hydroxybutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 59682349
N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-(4-fluorophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25120786
N-[4-(4-bromophenyl)-3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25120789

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide?
The IUPAC name of N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide (CID 11713229) is N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide.
What is the SMILES notation for N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide?
The canonical SMILES for N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide is CC(C)(Oc1ccc(C(F)(F)F)cn1)C(=O)NNC(Cc1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide?
The InChIKey is WWFXJTFKEFTCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2F3N3O2/c1-23(2,34-21-11-8-17(14-30-21)24(27,28)29)22(33)32-31-20(16-4-3-5-19(26)13-16)12-15-6-9-18(25)10-7-15/h3-11,13-14,20,31H,12H2,1-2H3,(H,32,33).
What are the key properties of N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide?
N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide has a molecular weight of 512.36 g/mol, XLogP of 6.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide is sourced from PubChem (CID 11713229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).