2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide

C24H19Br2N3O — CID 98050723

IUPAC2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C24H19Br2N3O/c25-20-9-5-17(6-10-20)13-24(30)28-27-14-19-16-29(23-4-2-1-3-22(19)23)15-18-7-11-21(26)12-8-18/h1-12,14,16H,13,15H2,(H,28,30)/b27-14-
InChIKeyFGEHISKAXLDAMJ-VYYCAZPPSA-N
MW525.24 g/mol
LogP5.91
Rot. Bonds6

About 2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide

2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide (PubChem CID 98050723) has the molecular formula C24H19Br2N3O and a molecular weight of 525.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
PubChem CID98050723
Molecular FormulaC24H19Br2N3O
Molecular Weight525.24 g/mol
Exact Mass522.99
IUPAC Name2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C24H19Br2N3O/c25-20-9-5-17(6-10-20)13-24(30)28-27-14-19-16-29(23-4-2-1-3-22(19)23)15-18-7-11-21(26)12-8-18/h1-12,14,16H,13,15H2,(H,28,30)/b27-14-
InChIKeyFGEHISKAXLDAMJ-VYYCAZPPSA-N
XLogP5.91
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.24
LogP ≤ 55.91
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-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
N-[(1-benzylindol-3-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1049161
N-[(1-benzylindol-3-yl)methylideneamino]-5-(4-bromophenyl)furan-2-carboxamide
CID 3252604
2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126149478
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126373063
2-(3,4-dimethylphenyl)-N-[[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 5033180
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143816
5-[[3-[[(2-phenylacetyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid
CID 4043420
2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 92657719
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
CID 5414915
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126376770
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126365049

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide (CID 98050723) is 2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide is O=C(Cc1ccc(Br)cc1)N/N=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The InChIKey is FGEHISKAXLDAMJ-VYYCAZPPSA-N. The full InChI is InChI=1S/C24H19Br2N3O/c25-20-9-5-17(6-10-20)13-24(30)28-27-14-19-16-29(23-4-2-1-3-22(19)23)15-18-7-11-21(26)12-8-18/h1-12,14,16H,13,15H2,(H,28,30)/b27-14-.
What are the key properties of 2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide has a molecular weight of 525.24 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 98050723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).