N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline

C14H15ClN4O2 — CID 80901418

IUPACN-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline
SMILESCC(Nc1cccc(NN)c1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4O2/c1-9(10-4-2-5-11(15)8-10)17-12-6-3-7-13(18-16)14(12)19(20)21/h2-9,17-18H,16H2,1H3
InChIKeyWWUXNXWHMOONJK-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.71
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline

N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline (PubChem CID 80901418) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline
PubChem CID80901418
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline
SMILESCC(Nc1cccc(NN)c1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4O2/c1-9(10-4-2-5-11(15)8-10)17-12-6-3-7-13(18-16)14(12)19(20)21/h2-9,17-18H,16H2,1H3
InChIKeyWWUXNXWHMOONJK-UHFFFAOYSA-N
XLogP3.71
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.71
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-chloro-N-[1-(3-chlorophenyl)ethyl]-2-nitroaniline
CID 104835777
3-chloro-N-[1-(3-fluorophenyl)ethyl]-2-nitroaniline
CID 104835832
N-[1-(3-chlorophenyl)ethyl]-4-methoxy-2-nitroaniline
CID 43218070
N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline
CID 80906458
methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate
CID 80897344
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569
2-N-[1-(3-chlorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80802264
3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline
CID 80897164
3-(3-hydrazinyl-2-nitroanilino)-2-methylsulfanylbutan-1-ol
CID 106163685
N-[1-(3-chlorophenyl)ethyl]-2,3-difluoro-6-nitroaniline
CID 63539785
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
5-chloro-2-nitro-N-[(1R)-1-phenylethyl]aniline
CID 7282605

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline (CID 80901418) is N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline is CC(Nc1cccc(NN)c1[N+](=O)[O-])c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline?
The InChIKey is WWUXNXWHMOONJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-9(10-4-2-5-11(15)8-10)17-12-6-3-7-13(18-16)14(12)19(20)21/h2-9,17-18H,16H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline?
N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline has a molecular weight of 306.75 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline is sourced from PubChem (CID 80901418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).