4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide

C17H15N3O4 — CID 6938443

IUPAC4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide
SMILESO=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15N3O4/c21-16(12-6-8-13(9-7-12)20(23)24)18-19-17(22)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H,18,21)(H,19,22)/t14-,15-/m0/s1
InChIKeyYNTXYGNUCPDXHA-GJZGRUSLSA-N
MW325.32 g/mol
LogP2.16
Rot. Bonds4

About 4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide

4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide (PubChem CID 6938443) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide
PubChem CID6938443
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide
SMILESO=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15N3O4/c21-16(12-6-8-13(9-7-12)20(23)24)18-19-17(22)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H,18,21)(H,19,22)/t14-,15-/m0/s1
InChIKeyYNTXYGNUCPDXHA-GJZGRUSLSA-N
XLogP2.16
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide
CID 6557039
2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide
CID 3098905
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]benzohydrazide
CID 51291955
1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea
CID 27518401
cis-(1R,2S)-N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6944937
3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide
CID 8022943
1-(2-methoxy-4-nitrophenyl)-3-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]thiourea
CID 40655251
trans-(1S,2S)-N-(2-chloro-5-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 903167
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate
CID 2255960
4-fluoro-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]benzamide
CID 6579165
trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7409539

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide?
The IUPAC name of 4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide (CID 6938443) is 4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide.
What is the SMILES notation for 4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide?
The canonical SMILES for 4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide is O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide?
The InChIKey is YNTXYGNUCPDXHA-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-16(12-6-8-13(9-7-12)20(23)24)18-19-17(22)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H,18,21)(H,19,22)/t14-,15-/m0/s1.
What are the key properties of 4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide?
4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide has a molecular weight of 325.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide is sourced from PubChem (CID 6938443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).