4-nitro-N-[(Z)-1-phenylethylideneamino]aniline

C14H13N3O2 — CID 6104616

IUPAC4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
SMILESC/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C14H13N3O2/c1-11(12-5-3-2-4-6-12)15-16-13-7-9-14(10-8-13)17(18)19/h2-10,16H,1H3/b15-11-
InChIKeyGUZXPZRLBUNPSC-PTNGSMBKSA-N
MW255.28 g/mol
LogP3.43
Rot. Bonds4

About 4-nitro-N-[(Z)-1-phenylethylideneamino]aniline

4-nitro-N-[(Z)-1-phenylethylideneamino]aniline (PubChem CID 6104616) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-nitro-N-[(Z)-1-phenylethylideneamino]aniline.

Molecular Properties

Compound Name4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
PubChem CID6104616
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
SMILESC/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C14H13N3O2/c1-11(12-5-3-2-4-6-12)15-16-13-7-9-14(10-8-13)17(18)19/h2-10,16H,1H3/b15-11-
InChIKeyGUZXPZRLBUNPSC-PTNGSMBKSA-N
XLogP3.43
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N-[1-(4-bromophenyl)ethylideneamino]-4-nitroaniline
CID 607339
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
CID 12706501
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 3974625
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
(1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonoyl bromide
CID 11348604
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
CID 6020436

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(Z)-1-phenylethylideneamino]aniline?
The IUPAC name of 4-nitro-N-[(Z)-1-phenylethylideneamino]aniline (CID 6104616) is 4-nitro-N-[(Z)-1-phenylethylideneamino]aniline.
What is the SMILES notation for 4-nitro-N-[(Z)-1-phenylethylideneamino]aniline?
The canonical SMILES for 4-nitro-N-[(Z)-1-phenylethylideneamino]aniline is C/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 4-nitro-N-[(Z)-1-phenylethylideneamino]aniline?
The InChIKey is GUZXPZRLBUNPSC-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-11(12-5-3-2-4-6-12)15-16-13-7-9-14(10-8-13)17(18)19/h2-10,16H,1H3/b15-11-.
What are the key properties of 4-nitro-N-[(Z)-1-phenylethylideneamino]aniline?
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline has a molecular weight of 255.28 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(Z)-1-phenylethylideneamino]aniline is sourced from PubChem (CID 6104616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).