N'-(3-iodobenzoyl)-2-nitrobenzohydrazide

C14H10IN3O4 — CID 3544369

IUPACN'-(3-iodobenzoyl)-2-nitrobenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(I)c1
InChIInChI=1S/C14H10IN3O4/c15-10-5-3-4-9(8-10)13(19)16-17-14(20)11-6-1-2-7-12(11)18(21)22/h1-8H,(H,16,19)(H,17,20)
InChIKeyODLUTCMXTVAKSL-UHFFFAOYSA-N
MW411.16 g/mol
LogP2.27
Rot. Bonds3

About N'-(3-iodobenzoyl)-2-nitrobenzohydrazide

N'-(3-iodobenzoyl)-2-nitrobenzohydrazide (PubChem CID 3544369) has the molecular formula C14H10IN3O4 and a molecular weight of 411.16 g/mol. Its IUPAC name is N'-(3-iodobenzoyl)-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(3-iodobenzoyl)-2-nitrobenzohydrazide
PubChem CID3544369
Molecular FormulaC14H10IN3O4
Molecular Weight411.16 g/mol
Exact Mass410.97
IUPAC NameN'-(3-iodobenzoyl)-2-nitrobenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(I)c1
InChIInChI=1S/C14H10IN3O4/c15-10-5-3-4-9(8-10)13(19)16-17-14(20)11-6-1-2-7-12(11)18(21)22/h1-8H,(H,16,19)(H,17,20)
InChIKeyODLUTCMXTVAKSL-UHFFFAOYSA-N
XLogP2.27
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.16
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3-iodobenzoyl)amino]carbamoyl]benzoate
CID 6972064
2-iodo-N'-(3-iodobenzoyl)benzohydrazide
CID 4236537
[(2-nitrobenzoyl)amino]urea
CID 61061190
3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 3120163
3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332346
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599
2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
CID 4507508
2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
CID 4213770
4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 25441159
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
3-iodo-N'-(4-phenylbenzoyl)benzohydrazide
CID 1035001

Frequently Asked Questions

What is the IUPAC name of N'-(3-iodobenzoyl)-2-nitrobenzohydrazide?
The IUPAC name of N'-(3-iodobenzoyl)-2-nitrobenzohydrazide (CID 3544369) is N'-(3-iodobenzoyl)-2-nitrobenzohydrazide.
What is the SMILES notation for N'-(3-iodobenzoyl)-2-nitrobenzohydrazide?
The canonical SMILES for N'-(3-iodobenzoyl)-2-nitrobenzohydrazide is O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(I)c1.
What is the InChIKey of N'-(3-iodobenzoyl)-2-nitrobenzohydrazide?
The InChIKey is ODLUTCMXTVAKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3O4/c15-10-5-3-4-9(8-10)13(19)16-17-14(20)11-6-1-2-7-12(11)18(21)22/h1-8H,(H,16,19)(H,17,20).
What are the key properties of N'-(3-iodobenzoyl)-2-nitrobenzohydrazide?
N'-(3-iodobenzoyl)-2-nitrobenzohydrazide has a molecular weight of 411.16 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-iodobenzoyl)-2-nitrobenzohydrazide is sourced from PubChem (CID 3544369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).