N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline

C14H15ClN4O2 — CID 80899206

IUPACN-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline
SMILESNNc1cc(NCCc2ccc(Cl)cc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H15ClN4O2/c15-11-3-1-10(2-4-11)5-6-17-12-7-13(18-16)9-14(8-12)19(20)21/h1-4,7-9,17-18H,5-6,16H2
InChIKeyJOFRTHRDLAKYFP-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline

N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline (PubChem CID 80899206) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline
PubChem CID80899206
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline
SMILESNNc1cc(NCCc2ccc(Cl)cc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H15ClN4O2/c15-11-3-1-10(2-4-11)5-6-17-12-7-13(18-16)9-14(8-12)19(20)21/h1-4,7-9,17-18H,5-6,16H2
InChIKeyJOFRTHRDLAKYFP-UHFFFAOYSA-N
XLogP3.19
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.19
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-(3-hydrazinyl-5-nitroanilino)propan-1-ol
CID 80944084
3-N-[(4-chlorophenyl)methyl]-5-nitrobenzene-1,3-diamine
CID 80765251
3-N-[(4-chlorophenyl)methyl]-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80750558
3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 80914336
3-fluoro-5-nitro-N-(2-phenylethyl)aniline
CID 60877252
N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80932130
3-hydrazinyl-N-(3-methylsulfanylpropyl)-5-nitroaniline
CID 80913011
3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline
CID 80943435
3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 80928323
2-(3-hydrazinyl-5-nitroanilino)acetamide
CID 80931618
N-(2,2-dimethylbutyl)-3-hydrazinyl-5-nitroaniline
CID 103466749
2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
CID 17208597

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline (CID 80899206) is N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline is NNc1cc(NCCc2ccc(Cl)cc2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline?
The InChIKey is JOFRTHRDLAKYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-11-3-1-10(2-4-11)5-6-17-12-7-13(18-16)9-14(8-12)19(20)21/h1-4,7-9,17-18H,5-6,16H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline?
N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline has a molecular weight of 306.75 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline is sourced from PubChem (CID 80899206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).