N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide

C13H11ClN4O3 — CID 115549451

IUPACN-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide
SMILESNNc1cccc(C(=O)Nc2ccc(Cl)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN4O3/c14-8-4-6-9(7-5-8)16-13(19)10-2-1-3-11(17-15)12(10)18(20)21/h1-7,17H,15H2,(H,16,19)
InChIKeyIMXKNUGQDAXHEW-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.79
Rot. Bonds4

About N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide

N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide (PubChem CID 115549451) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide
PubChem CID115549451
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC NameN-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide
SMILESNNc1cccc(C(=O)Nc2ccc(Cl)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN4O3/c14-8-4-6-9(7-5-8)16-13(19)10-2-1-3-11(17-15)12(10)18(20)21/h1-7,17H,15H2,(H,16,19)
InChIKeyIMXKNUGQDAXHEW-UHFFFAOYSA-N
XLogP2.79
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

3-hydrazinyl-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107590020
3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide
CID 113333612
N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide
CID 115548321
N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549532
3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 113333579
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide
CID 115549707
3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 115549682
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549371
N-(4-chlorophenyl)-1-nitro-9,10-dioxoanthracene-2-carboxamide
CID 3126039

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide?
The IUPAC name of N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide (CID 115549451) is N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide is NNc1cccc(C(=O)Nc2ccc(Cl)cc2)c1[N+](=O)[O-].
What is the InChIKey of N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide?
The InChIKey is IMXKNUGQDAXHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c14-8-4-6-9(7-5-8)16-13(19)10-2-1-3-11(17-15)12(10)18(20)21/h1-7,17H,15H2,(H,16,19).
What are the key properties of N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide?
N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide has a molecular weight of 306.71 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide is sourced from PubChem (CID 115549451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).