N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide

C15H14F6N2O4 — CID 1491489

IUPACN'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C15H14F6N2O4/c16-14(17,18)6-26-9-3-4-11(27-7-15(19,20)21)10(5-9)13(25)23-22-12(24)8-1-2-8/h3-5,8H,1-2,6-7H2,(H,22,24)(H,23,25)
InChIKeyZLXYQGZMELCGRT-UHFFFAOYSA-N
MW400.28 g/mol
LogP2.74
Rot. Bonds6

About N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide

N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide (PubChem CID 1491489) has the molecular formula C15H14F6N2O4 and a molecular weight of 400.28 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide
PubChem CID1491489
Molecular FormulaC15H14F6N2O4
Molecular Weight400.28 g/mol
Exact Mass400.09
IUPAC NameN'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C15H14F6N2O4/c16-14(17,18)6-26-9-3-4-11(27-7-15(19,20)21)10(5-9)13(25)23-22-12(24)8-1-2-8/h3-5,8H,1-2,6-7H2,(H,22,24)(H,23,25)
InChIKeyZLXYQGZMELCGRT-UHFFFAOYSA-N
XLogP2.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 52.74
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

methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 158681446
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3782425
3-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]propanoic acid
CID 119177343
N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3816337
N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrobromide
CID 11705938
1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-2-chloroethanone
CID 12050208
N-(2-benzamidoethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3657845
acetic acid;N-[[(2R)-piperidin-2-yl]methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 73416119
N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 21447146
5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035342
2-prop-2-enoxy-5-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035279
5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 15055940

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide (CID 1491489) is N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide is O=C(NNC(=O)C1CC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F.
What is the InChIKey of N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide?
The InChIKey is ZLXYQGZMELCGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N2O4/c16-14(17,18)6-26-9-3-4-11(27-7-15(19,20)21)10(5-9)13(25)23-22-12(24)8-1-2-8/h3-5,8H,1-2,6-7H2,(H,22,24)(H,23,25).
What are the key properties of N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide?
N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide has a molecular weight of 400.28 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide is sourced from PubChem (CID 1491489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).