5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide

C18H14ClF3N2O3 — CID 134009998

IUPAC5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
SMILESO=C(NNC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C18H14ClF3N2O3/c19-11-5-6-15(25)14(7-11)17(27)24-23-16(26)13-8-12(13)9-1-3-10(4-2-9)18(20,21)22/h1-7,12-13,25H,8H2,(H,23,26)(H,24,27)
InChIKeyZZDMGTVBFJBEIL-UHFFFAOYSA-N
MW398.77 g/mol
LogP3.63
Rot. Bonds3

About 5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide

5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide (PubChem CID 134009998) has the molecular formula C18H14ClF3N2O3 and a molecular weight of 398.77 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
PubChem CID134009998
Molecular FormulaC18H14ClF3N2O3
Molecular Weight398.77 g/mol
Exact Mass398.06
IUPAC Name5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
SMILESO=C(NNC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C18H14ClF3N2O3/c19-11-5-6-15(25)14(7-11)17(27)24-23-16(26)13-8-12(13)9-1-3-10(4-2-9)18(20,21)22/h1-7,12-13,25H,8H2,(H,23,26)(H,24,27)
InChIKeyZZDMGTVBFJBEIL-UHFFFAOYSA-N
XLogP3.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.77
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-2-hydroxybenzohydrazide
CID 51292428
2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
CID 16719292
5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide
CID 166235169
1-(5-chloro-2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 4530933
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
(2R)-N-propyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 130471039
N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009742
N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381236
N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-2-hydroxybenzohydrazide
CID 134009752
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]benzohydrazide
CID 51291955
5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide
CID 99866831

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide?
The IUPAC name of 5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide (CID 134009998) is 5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide is O=C(NNC(=O)C1CC1c1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide?
The InChIKey is ZZDMGTVBFJBEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O3/c19-11-5-6-15(25)14(7-11)17(27)24-23-16(26)13-8-12(13)9-1-3-10(4-2-9)18(20,21)22/h1-7,12-13,25H,8H2,(H,23,26)(H,24,27).
What are the key properties of 5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide?
5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide has a molecular weight of 398.77 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide is sourced from PubChem (CID 134009998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).