4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide

C22H17N3O4 — CID 1009768

IUPAC4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide
SMILESO=C(NN=C(C=Cc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H17N3O4/c26-19-13-10-18(11-14-19)22(27)24-23-20(16-6-2-1-3-7-16)15-12-17-8-4-5-9-21(17)25(28)29/h1-15,26H,(H,24,27)
InChIKeyZIPFFLXIKANDJL-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.15
Rot. Bonds6

About 4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide

4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide (PubChem CID 1009768) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide
PubChem CID1009768
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide
SMILESO=C(NN=C(C=Cc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H17N3O4/c26-19-13-10-18(11-14-19)22(27)24-23-20(16-6-2-1-3-7-16)15-12-17-8-4-5-9-21(17)25(28)29/h1-15,26H,(H,24,27)
InChIKeyZIPFFLXIKANDJL-UHFFFAOYSA-N
XLogP4.15
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
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

4-bromo-N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide
CID 92652533
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 26912181
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
(Z)-5-(2-nitrophenyl)-3-oxopent-4-enoic acid
CID 70083415
4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 4510499
6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 4996641
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 8935588
(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide
CID 30769477
1-(4-bromophenyl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 4811006

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide?
The IUPAC name of 4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide (CID 1009768) is 4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide?
The canonical SMILES for 4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide is O=C(NN=C(C=Cc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide?
The InChIKey is ZIPFFLXIKANDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c26-19-13-10-18(11-14-19)22(27)24-23-20(16-6-2-1-3-7-16)15-12-17-8-4-5-9-21(17)25(28)29/h1-15,26H,(H,24,27).
What are the key properties of 4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide?
4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide has a molecular weight of 387.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide is sourced from PubChem (CID 1009768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).