4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide

C18H14BrF3N2O2 — CID 78832337

IUPAC4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
SMILESO=C(NNC(=O)C1CC1c1ccccc1C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C18H14BrF3N2O2/c19-11-7-5-10(6-8-11)16(25)23-24-17(26)14-9-13(14)12-3-1-2-4-15(12)18(20,21)22/h1-8,13-14H,9H2,(H,23,25)(H,24,26)
InChIKeyQKZXASXDHPDHBY-UHFFFAOYSA-N
MW427.22 g/mol
LogP4.03
Rot. Bonds3

About 4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide

4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide (PubChem CID 78832337) has the molecular formula C18H14BrF3N2O2 and a molecular weight of 427.22 g/mol. Its IUPAC name is 4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
PubChem CID78832337
Molecular FormulaC18H14BrF3N2O2
Molecular Weight427.22 g/mol
Exact Mass426.02
IUPAC Name4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
SMILESO=C(NNC(=O)C1CC1c1ccccc1C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C18H14BrF3N2O2/c19-11-7-5-10(6-8-11)16(25)23-24-17(26)14-9-13(14)12-3-1-2-4-15(12)18(20,21)22/h1-8,13-14H,9H2,(H,23,25)(H,24,26)
InChIKeyQKZXASXDHPDHBY-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.22
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzoic acid, m-bromo-, benzoylhydrazide
CID 52256
N'-acetyl-4-bromobenzohydrazide
CID 99357
N-[(4-bromophenyl)carbonylamino](3-methylphenyl)carboxamide
CID 824404
2-bromo-N'-(3-phenylpropanoyl)benzohydrazide
CID 603175
4-bromo-N'-(3-phenylpropanoyl)benzohydrazide
CID 809032
4-bromo-N'-(cyclohexylcarbonyl)benzohydrazide
CID 875188
4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide
CID 2653159
N'-(3-bromobenzoyl)-2-methylbenzohydrazide
CID 708032
2-bromo-N'-(3-cyclohexen-1-ylcarbonyl)benzohydrazide
CID 2843917
N-[(2-fluorophenyl)carbonylamino](2-phenylcyclopropyl)carboxamide
CID 3151726
3-bromo-N'-(3-cyclohexen-1-ylcarbonyl)benzohydrazide
CID 4078623
2'-(4-Bromobenzoyl)-1-naphthohydrazide
CID 96742

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide (CID 78832337) is 4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide is O=C(NNC(=O)C1CC1c1ccccc1C(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide?
The InChIKey is QKZXASXDHPDHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF3N2O2/c19-11-7-5-10(6-8-11)16(25)23-24-17(26)14-9-13(14)12-3-1-2-4-15(12)18(20,21)22/h1-8,13-14H,9H2,(H,23,25)(H,24,26).
What are the key properties of 4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide?
4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide has a molecular weight of 427.22 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide is sourced from PubChem (CID 78832337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).