1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide

C17H14BrN3O3 — CID 123764142

IUPAC1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)NN=CC(Br)=Cc2ccccc2)cc1
InChIInChI=1S/C17H14BrN3O3/c18-15(10-12-4-2-1-3-5-12)11-19-20-16(22)13-6-8-14(9-7-13)17(23)21-24/h1-11,24H,(H,20,22)(H,21,23)
InChIKeyFVRZAXUITHVNCX-UHFFFAOYSA-N
MW388.22 g/mol
LogP2.96
Rot. Bonds5

About 1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide

1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 123764142) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is 1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID123764142
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC Name1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)NN=CC(Br)=Cc2ccccc2)cc1
InChIInChI=1S/C17H14BrN3O3/c18-15(10-12-4-2-1-3-5-12)11-19-20-16(22)13-6-8-14(9-7-13)17(23)21-24/h1-11,24H,(H,20,22)(H,21,23)
InChIKeyFVRZAXUITHVNCX-UHFFFAOYSA-N
XLogP2.96
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4-(diethylamino)benzamide
CID 6902093
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 5333947
N-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3,4,5-triethoxybenzamide
CID 2352270
5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 6896293
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
CID 5407602
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
N-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-nitrobenzamide
CID 1367855
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide
CID 6025230
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide
CID 3883707
N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide
CID 84582854
4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3833151

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide (CID 123764142) is 1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide is O=C(NO)c1ccc(C(=O)NN=CC(Br)=Cc2ccccc2)cc1.
What is the InChIKey of 1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is FVRZAXUITHVNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c18-15(10-12-4-2-1-3-5-12)11-19-20-16(22)13-6-8-14(9-7-13)17(23)21-24/h1-11,24H,(H,20,22)(H,21,23).
What are the key properties of 1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide?
1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 388.22 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 123764142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).