1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone

C15H12N2O3 — CID 620155

IUPAC1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H12N2O3/c1-11(18)13-4-6-14(7-5-13)16-10-12-2-8-15(9-3-12)17(19)20/h2-10H,1H3/b16-10+
InChIKeyBVABHWRNVARUQC-MHWRWJLKSA-N
MW268.27 g/mol
LogP3.55
Rot. Bonds4

About 1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone

1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone (PubChem CID 620155) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
PubChem CID620155
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H12N2O3/c1-11(18)13-4-6-14(7-5-13)16-10-12-2-8-15(9-3-12)17(19)20/h2-10H,1H3/b16-10+
InChIKeyBVABHWRNVARUQC-MHWRWJLKSA-N
XLogP3.55
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.55
H-Bond Donors ≤ 50
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

ethane;1-(4-nitrophenyl)ethanone
CID 172597016
1-ethenyl-4-nitrobenzene;1-(4-nitrophenyl)ethanone
CID 88505164
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058
1-[4-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]phenyl]ethanone
CID 5073272
1-[4-[[5-hydroxy-2-(4-nitrophenyl)-1,3-oxazol-4-yl]methylideneamino]phenyl]ethanone
CID 4109891
1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone
CID 4017717
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104
(Z)-1-(4-acetylphenyl)-3-hydroxy-2-[(4-nitrophenyl)diazenyl]prop-2-en-1-one
CID 135442758
2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol
CID 71362397
1-(4-aminophenyl)ethanone;1-(4-nitrophenyl)ethanone
CID 174531319

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone (CID 620155) is 1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone is CC(=O)c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone?
The InChIKey is BVABHWRNVARUQC-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-11(18)13-4-6-14(7-5-13)16-10-12-2-8-15(9-3-12)17(19)20/h2-10H,1H3/b16-10+.
What are the key properties of 1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone?
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone has a molecular weight of 268.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone is sourced from PubChem (CID 620155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).