2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide

C17H15N3O4 — CID 3098905

IUPAC2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide
SMILESO=C(NNC(=O)C1CC1c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15N3O4/c21-16(12-8-4-5-9-15(12)20(23)24)18-19-17(22)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14H,10H2,(H,18,21)(H,19,22)
InChIKeyDNYIOUOQWKBFCQ-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.16
Rot. Bonds4

About 2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide

2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide (PubChem CID 3098905) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide.

Molecular Properties

Compound Name2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide
PubChem CID3098905
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide
SMILESO=C(NNC(=O)C1CC1c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15N3O4/c21-16(12-8-4-5-9-15(12)20(23)24)18-19-17(22)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14H,10H2,(H,18,21)(H,19,22)
InChIKeyDNYIOUOQWKBFCQ-UHFFFAOYSA-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

4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide
CID 6938443
[(2-nitrobenzoyl)amino]urea
CID 61061190
trans-(1S,2S)-N-[(2-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 1237032
cis-(1R,2S)-N-[(Z)-(2-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6975322
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-2-hydroxybenzohydrazide
CID 51292428
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea
CID 27518401
trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide
CID 6557039
N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide
CID 691734
cis-(1S,3S)-1,2,2-trimethyl-3-[[(2-nitrobenzoyl)amino]carbamoyl]cyclopentane-1-carboxylic acid
CID 30105563
trans-(1S,2S)-N-(4-chloro-3-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 903153
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide?
The IUPAC name of 2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide (CID 3098905) is 2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide.
What is the SMILES notation for 2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide?
The canonical SMILES for 2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide is O=C(NNC(=O)C1CC1c1ccccc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide?
The InChIKey is DNYIOUOQWKBFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-16(12-8-4-5-9-15(12)20(23)24)18-19-17(22)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14H,10H2,(H,18,21)(H,19,22).
What are the key properties of 2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide?
2-nitro-N'-(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 2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide is sourced from PubChem (CID 3098905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).