2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline

C13H11ClN4O2 — CID 86733096

IUPAC2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline
SMILESNN=C(c1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C13H11ClN4O2/c14-9-3-1-2-8(6-9)13(17-16)11-7-10(18(19)20)4-5-12(11)15/h1-7H,15-16H2
InChIKeyGVPWLVRPBMAMPV-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.54
Rot. Bonds3

About 2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline

2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline (PubChem CID 86733096) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline.

Molecular Properties

Compound Name2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline
PubChem CID86733096
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Name2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline
SMILESNN=C(c1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C13H11ClN4O2/c14-9-3-1-2-8(6-9)13(17-16)11-7-10(18(19)20)4-5-12(11)15/h1-7H,15-16H2
InChIKeyGVPWLVRPBMAMPV-UHFFFAOYSA-N
XLogP2.54
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-amino-5-nitrophenyl)-(3-chlorophenyl)methanone
CID 5231026
(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone
CID 11818322
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 9339051
[(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea
CID 6534403
3-chloroaniline;2-chloro-4-nitroaniline
CID 159343483
sodium 2-[[(2-amino-5-nitrophenyl)-(2-chlorophenyl)methylidene]amino]-1-hydroxyethanolate
CID 169433008
1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone
CID 148638353
2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide
CID 62152532
potassium 2-amino-5-nitrobenzoate
CID 171152190
N'-amino-3-nitrobenzenecarboximidamide;hydrochloride
CID 87664105
[2-(3-nitrophenyl)-2-oxoethyl] 3-chlorobenzoate
CID 2899159
2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone
CID 62505296

Frequently Asked Questions

What is the IUPAC name of 2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline?
The IUPAC name of 2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline (CID 86733096) is 2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline.
What is the SMILES notation for 2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline?
The canonical SMILES for 2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline is NN=C(c1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline?
The InChIKey is GVPWLVRPBMAMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c14-9-3-1-2-8(6-9)13(17-16)11-7-10(18(19)20)4-5-12(11)15/h1-7H,15-16H2.
What are the key properties of 2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline?
2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline has a molecular weight of 290.71 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-(3-chlorophenyl)carbonohydrazonoyl]-4-nitroaniline is sourced from PubChem (CID 86733096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).