N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide

C20H16BrN3O — CID 6025230

IUPACN-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide
SMILESO=C(N/N=C\C(Br)=C\c1ccccc1)c1ccccc1-n1cccc1
InChIInChI=1S/C20H16BrN3O/c21-17(14-16-8-2-1-3-9-16)15-22-23-20(25)18-10-4-5-11-19(18)24-12-6-7-13-24/h1-15H,(H,23,25)/b17-14-,22-15-
InChIKeyMEKPVXHTMNZESN-JXUJGAQVSA-N
MW394.27 g/mol
LogP4.63
Rot. Bonds5

About N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide

N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide (PubChem CID 6025230) has the molecular formula C20H16BrN3O and a molecular weight of 394.27 g/mol. Its IUPAC name is N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide
PubChem CID6025230
Molecular FormulaC20H16BrN3O
Molecular Weight394.27 g/mol
Exact Mass393.05
IUPAC NameN-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide
SMILESO=C(N/N=C\C(Br)=C\c1ccccc1)c1ccccc1-n1cccc1
InChIInChI=1S/C20H16BrN3O/c21-17(14-16-8-2-1-3-9-16)15-22-23-20(25)18-10-4-5-11-19(18)24-12-6-7-13-24/h1-15H,(H,23,25)/b17-14-,22-15-
InChIKeyMEKPVXHTMNZESN-JXUJGAQVSA-N
XLogP4.63
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-pyrrol-1-ylbenzamide
CID 4086901
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 5333947
5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 6896293
N-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-nitrobenzamide
CID 1367855
1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 123764142
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
CID 5407602
2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide
CID 1484943
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295
N-[(E)-anthracen-9-ylmethylideneamino]-2-pyrrol-1-ylbenzamide
CID 19659641
N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 137151823
N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide
CID 5051594
2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 5398003

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide (CID 6025230) is N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide is O=C(N/N=C\C(Br)=C\c1ccccc1)c1ccccc1-n1cccc1.
What is the InChIKey of N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide?
The InChIKey is MEKPVXHTMNZESN-JXUJGAQVSA-N. The full InChI is InChI=1S/C20H16BrN3O/c21-17(14-16-8-2-1-3-9-16)15-22-23-20(25)18-10-4-5-11-19(18)24-12-6-7-13-24/h1-15H,(H,23,25)/b17-14-,22-15-.
What are the key properties of N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide?
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide has a molecular weight of 394.27 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 6025230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).