4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide

C17H15BrN2O2 — CID 31704429

IUPAC4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide
SMILESO=C(NNC(=O)C1(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O2/c18-14-8-6-12(7-9-14)15(21)19-20-16(22)17(10-11-17)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,21)(H,20,22)
InChIKeyMURDCGBAESRCDI-UHFFFAOYSA-N
MW359.22 g/mol
LogP2.94
Rot. Bonds3

About 4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide

4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide (PubChem CID 31704429) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide
PubChem CID31704429
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide
SMILESO=C(NNC(=O)C1(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O2/c18-14-8-6-12(7-9-14)15(21)19-20-16(22)17(10-11-17)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,21)(H,20,22)
InChIKeyMURDCGBAESRCDI-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 52.94
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

N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide
CID 134023828
4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide
CID 34969110
N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide
CID 36575242
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118
4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821516
1-acetyl-N'-(4-bromo-1H-pyrrole-2-carbonyl)-4-phenylpiperidine-4-carbohydrazide
CID 134029239
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
CID 55556786
4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821654
N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 36577291
N'-(4-bromobenzoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
CID 4632085
N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
CID 112846002

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide?
The IUPAC name of 4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide (CID 31704429) is 4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide.
What is the SMILES notation for 4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide?
The canonical SMILES for 4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide is O=C(NNC(=O)C1(c2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide?
The InChIKey is MURDCGBAESRCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c18-14-8-6-12(7-9-14)15(21)19-20-16(22)17(10-11-17)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,21)(H,20,22).
What are the key properties of 4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide?
4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide has a molecular weight of 359.22 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide is sourced from PubChem (CID 31704429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).