N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide

C19H16BrN3O — CID 4556577

IUPACN-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1cccn1-c1ccc(Br)cc1
InChIInChI=1S/C19H16BrN3O/c20-16-8-10-17(11-9-16)23-12-4-7-18(23)14-21-22-19(24)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,22,24)
InChIKeyXLXJHNFDNYTRBR-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.93
Rot. Bonds5

About N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide

N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide (PubChem CID 4556577) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide
PubChem CID4556577
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC NameN-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1cccn1-c1ccc(Br)cc1
InChIInChI=1S/C19H16BrN3O/c20-16-8-10-17(11-9-16)23-12-4-7-18(23)14-21-22-19(24)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,22,24)
InChIKeyXLXJHNFDNYTRBR-UHFFFAOYSA-N
XLogP3.93
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', '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

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]acetamide
CID 1244605
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]acetamide
CID 5457697
[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea
CID 5425600
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide
CID 6088161
5,7-dibromo-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376279
2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
CID 4244555
4-[2-[(Z)-[[2-(3-nitrophenyl)acetyl]hydrazinylidene]methyl]pyrrol-1-yl]benzoate
CID 7340677
2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide
CID 21374423
N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4019273
2-(3-bromophenoxy)-N-[(Z)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide
CID 21374448
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 126223643

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide (CID 4556577) is N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)NN=Cc1cccn1-c1ccc(Br)cc1.
What is the InChIKey of N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide?
The InChIKey is XLXJHNFDNYTRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c20-16-8-10-17(11-9-16)23-12-4-7-18(23)14-21-22-19(24)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,22,24).
What are the key properties of N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide?
N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide has a molecular weight of 382.26 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 4556577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).