(NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine

C19H16ClN3O3S — CID 25096098

IUPAC(NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(NC(C/C(=N/O)c2ccc(Cl)cc2)c2cccs2)cc1
InChIInChI=1S/C19H16ClN3O3S/c20-14-5-3-13(4-6-14)17(22-24)12-18(19-2-1-11-27-19)21-15-7-9-16(10-8-15)23(25)26/h1-11,18,21,24H,12H2/b22-17-
InChIKeyYAZCUIJHLFDGJJ-XLNRJJMWSA-N
MW401.88 g/mol
LogP5.73
Rot. Bonds7

About (NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine

(NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine (PubChem CID 25096098) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is (NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine
PubChem CID25096098
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name(NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(NC(C/C(=N/O)c2ccc(Cl)cc2)c2cccs2)cc1
InChIInChI=1S/C19H16ClN3O3S/c20-14-5-3-13(4-6-14)17(22-24)12-18(19-2-1-11-27-19)21-15-7-9-16(10-8-15)23(25)26/h1-11,18,21,24H,12H2/b22-17-
InChIKeyYAZCUIJHLFDGJJ-XLNRJJMWSA-N
XLogP5.73
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.88
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[1-(4-chlorophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propylidene]hydroxylamine
CID 25096350
1-(4-chlorophenyl)-3-(4-nitroanilino)-3-phenylpropan-1-one;hydrobromide
CID 46243999
1-(4-chlorophenyl)-3-(4-nitroanilino)-3-phenylpropan-1-one;2,3-dihydroxybutanedioic acid
CID 46244525
1-(4-chlorophenyl)-3-(4-nitroanilino)-3-phenylpropan-1-ol
CID 24865344
3-(4-bromophenyl)-1-(4-chlorophenyl)-3-(4-nitroanilino)propan-1-ol
CID 132590823
N-[(4-chlorophenyl)-phenylmethyl]-4-nitroaniline
CID 12000204
1-(3-chlorothiophen-2-yl)-3-(4-nitroanilino)-3-phenylpropan-1-one
CID 24865345
1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(4-nitroanilino)propan-1-one
CID 132591658
4-chloro-3-nitro-N-(1-thiophen-2-ylpropyl)aniline
CID 43719388
4-(4-nitroanilino)-4-phenylbutan-2-one
CID 14644789
N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 150181858
2-nitro-5-(1-thiophen-2-ylpropylamino)benzonitrile
CID 115500249

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine (CID 25096098) is (NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine is O=[N+]([O-])c1ccc(NC(C/C(=N/O)c2ccc(Cl)cc2)c2cccs2)cc1.
What is the InChIKey of (NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine?
The InChIKey is YAZCUIJHLFDGJJ-XLNRJJMWSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-14-5-3-13(4-6-14)17(22-24)12-18(19-2-1-11-27-19)21-15-7-9-16(10-8-15)23(25)26/h1-11,18,21,24H,12H2/b22-17-.
What are the key properties of (NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine?
(NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine has a molecular weight of 401.88 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropylidene]hydroxylamine is sourced from PubChem (CID 25096098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).