N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline

C13H13ClN4O2 — CID 80932130

IUPACN-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline
SMILESNNc1cc(NCc2ccccc2Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H13ClN4O2/c14-13-4-2-1-3-9(13)8-16-10-5-11(17-15)7-12(6-10)18(19)20/h1-7,16-17H,8,15H2
InChIKeyXARITVYKZFHHTR-UHFFFAOYSA-N
MW292.73 g/mol
LogP3.15
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline

N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline (PubChem CID 80932130) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline
PubChem CID80932130
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC NameN-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline
SMILESNNc1cc(NCc2ccccc2Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H13ClN4O2/c14-13-4-2-1-3-9(13)8-16-10-5-11(17-15)7-12(6-10)18(19)20/h1-7,16-17H,8,15H2
InChIKeyXARITVYKZFHHTR-UHFFFAOYSA-N
XLogP3.15
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 53.15
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

2-chloro-N-[(2-chlorophenyl)methyl]-5-nitroaniline
CID 43718808
3-N-[(2-fluorophenyl)methyl]-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80776834
3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline
CID 80943435
3-N-[(2-ethylphenyl)methyl]-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80827494
2-chloro-6-[(3-fluoro-5-nitroanilino)methyl]phenol
CID 107334735
N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline
CID 80899206
N-(2,2-dimethylbutyl)-3-hydrazinyl-5-nitroaniline
CID 103466749
N-[(2,6-dichlorophenyl)methyl]-3-fluoro-5-nitroaniline
CID 107334655
N-benzyl-3-chloro-5-nitroaniline
CID 125116180
2-(3-hydrazinyl-5-nitroanilino)acetamide
CID 80931618
N-[(4-bromothiophen-2-yl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80917328
N-[(2-chlorophenyl)methyl]-4-nitro-3-(trifluoromethyl)aniline
CID 110823807

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline (CID 80932130) is N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline is NNc1cc(NCc2ccccc2Cl)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline?
The InChIKey is XARITVYKZFHHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-13-4-2-1-3-9(13)8-16-10-5-11(17-15)7-12(6-10)18(19)20/h1-7,16-17H,8,15H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline?
N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline has a molecular weight of 292.73 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline is sourced from PubChem (CID 80932130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).