N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide

C15H16BrN3O — CID 697308

IUPACN-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCC(=NNC(=O)Cc1cccn1C)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O/c1-11(12-5-7-13(16)8-6-12)17-18-15(20)10-14-4-3-9-19(14)2/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyYXCYWZBYGZXNEI-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.87
Rot. Bonds4

About N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide

N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 697308) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID697308
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCC(=NNC(=O)Cc1cccn1C)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O/c1-11(12-5-7-13(16)8-6-12)17-18-15(20)10-14-4-3-9-19(14)2/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyYXCYWZBYGZXNEI-UHFFFAOYSA-N
XLogP2.87
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.87
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

2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 5395320
2-(1-methylpyrrol-2-yl)-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 6076209
N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
CID 780756
5-[(Z)-C-methyl-N-[[2-(1-methylpyrrol-2-yl)acetyl]amino]carbonimidoyl]thiophene-2-carboxylic acid
CID 6261064
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 6132667
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide
CID 51342256
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 18292295
2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
CID 25237297
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 5457542
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (CID 697308) is N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is CC(=NNC(=O)Cc1cccn1C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is YXCYWZBYGZXNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-11(12-5-7-13(16)8-6-12)17-18-15(20)10-14-4-3-9-19(14)2/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 334.22 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 697308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).