2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one

C22H14N2O4 — CID 10044638

IUPAC2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)oc2ccccc12
InChIInChI=1S/C22H14N2O4/c25-20-13-22(28-21-4-2-1-3-19(20)21)16-7-9-17(10-8-16)23-14-15-5-11-18(12-6-15)24(26)27/h1-14H/b23-14+
InChIKeyYGAZCHBPSCFBBZ-OEAKJJBVSA-N
MW370.36 g/mol
LogP5.12
Rot. Bonds4

About 2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one

2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one (PubChem CID 10044638) has the molecular formula C22H14N2O4 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one
PubChem CID10044638
Molecular FormulaC22H14N2O4
Molecular Weight370.36 g/mol
Exact Mass370.10
IUPAC Name2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)oc2ccccc12
InChIInChI=1S/C22H14N2O4/c25-20-13-22(28-21-4-2-1-3-19(20)21)16-7-9-17(10-8-16)23-14-15-5-11-18(12-6-15)24(26)27/h1-14H/b23-14+
InChIKeyYGAZCHBPSCFBBZ-OEAKJJBVSA-N
XLogP5.12
TPSA85.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(4-nitrophenyl)chromen-4-one
CID 622510
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(4-nitrophenyl)methanimine
CID 155545055
2-[4-[(E)-methoxyiminomethyl]phenyl]chromen-4-one
CID 10684060
2-phenylchromen-4-one
CID 90124083
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104
2-(4-nitrophenyl)-1-benzofuran
CID 638459
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
copper;2-phenylchromen-4-one
CID 175169427
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one?
The IUPAC name of 2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one (CID 10044638) is 2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one.
What is the SMILES notation for 2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one?
The canonical SMILES for 2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one is O=c1cc(-c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)oc2ccccc12.
What is the InChIKey of 2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one?
The InChIKey is YGAZCHBPSCFBBZ-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H14N2O4/c25-20-13-22(28-21-4-2-1-3-19(20)21)16-7-9-17(10-8-16)23-14-15-5-11-18(12-6-15)24(26)27/h1-14H/b23-14+.
What are the key properties of 2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one?
2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one has a molecular weight of 370.36 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-nitrophenyl)methylideneamino]phenyl]chromen-4-one is sourced from PubChem (CID 10044638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).