4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide

C16H16N2O — CID 1386818

IUPAC4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide
SMILESNNC(=O)c1ccc([C@@H]2C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H16N2O/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)/t14-,15-/m0/s1
InChIKeyNCCXTIMHSSGUEJ-GJZGRUSLSA-N
MW252.32 g/mol
LogP2.56
Rot. Bonds3

About 4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide

4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide (PubChem CID 1386818) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide.

Molecular Properties

Compound Name4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide
PubChem CID1386818
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide
SMILESNNC(=O)c1ccc([C@@H]2C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H16N2O/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)/t14-,15-/m0/s1
InChIKeyNCCXTIMHSSGUEJ-GJZGRUSLSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.56
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-(2-phenylcyclopropyl)benzohydrazide;hydrochloride
CID 44657658
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
benzohydrazide;propane
CID 90709051
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
3-(2-phenylcyclopropyl)benzamide
CID 144684573

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide?
The IUPAC name of 4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide (CID 1386818) is 4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide.
What is the SMILES notation for 4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide?
The canonical SMILES for 4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide is NNC(=O)c1ccc([C@@H]2C[C@H]2c2ccccc2)cc1.
What is the InChIKey of 4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide?
The InChIKey is NCCXTIMHSSGUEJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H16N2O/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)/t14-,15-/m0/s1.
What are the key properties of 4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide?
4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide has a molecular weight of 252.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide is sourced from PubChem (CID 1386818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).