4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride

C16H17ClN2O — CID 44657658

IUPAC4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride
SMILESCl.NNC(=O)c1ccc(C2CC2c2ccccc2)cc1
InChIInChI=1S/C16H16N2O.ClH/c17-18-16(19)13-8-6-12(7-9-13)15-10-14(15)11-4-2-1-3-5-11;/h1-9,14-15H,10,17H2,(H,18,19);1H
InChIKeyCDWMXMXOPMHQEG-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.98
Rot. Bonds3

About 4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride

4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride (PubChem CID 44657658) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride.

Molecular Properties

Compound Name4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride
PubChem CID44657658
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride
SMILESCl.NNC(=O)c1ccc(C2CC2c2ccccc2)cc1
InChIInChI=1S/C16H16N2O.ClH/c17-18-16(19)13-8-6-12(7-9-13)15-10-14(15)11-4-2-1-3-5-11;/h1-9,14-15H,10,17H2,(H,18,19);1H
InChIKeyCDWMXMXOPMHQEG-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylcyclopropyl)benzohydrazide
CID 4594491
4-[(1S,2R)-2-phenylcyclopropyl]benzohydrazide
CID 910989
4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide
CID 1386818
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180
1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone
CID 10561809
1-[4-(2-phenylcyclopropyl)phenyl]ethanone
CID 4663286
4-phenyl-N-[4-(2-phenylcyclopropyl)phenyl]benzamide
CID 144638374
benzohydrazide;molybdenum
CID 162076561
4-hydrazinyl-N-(2-phenylcyclopropyl)benzamide
CID 62249097
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
3-(2-phenylcyclopropyl)benzamide
CID 144684573
4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide
CID 144638426

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride?
The IUPAC name of 4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride (CID 44657658) is 4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride.
What is the SMILES notation for 4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride?
The canonical SMILES for 4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride is Cl.NNC(=O)c1ccc(C2CC2c2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride?
The InChIKey is CDWMXMXOPMHQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O.ClH/c17-18-16(19)13-8-6-12(7-9-13)15-10-14(15)11-4-2-1-3-5-11;/h1-9,14-15H,10,17H2,(H,18,19);1H.
What are the key properties of 4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride?
4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylcyclopropyl)benzohydrazide;hydrochloride is sourced from PubChem (CID 44657658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).