N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide

C21H22Br2N4O2 — CID 3539768

IUPACN,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)NN=Cc1ccc(Br)cc1)NN=Cc1ccc(Br)cc1
InChIInChI=1S/C21H22Br2N4O2/c22-18-10-6-16(7-11-18)14-24-26-20(28)4-2-1-3-5-21(29)27-25-15-17-8-12-19(23)13-9-17/h6-15H,1-5H2,(H,26,28)(H,27,29)
InChIKeyOABPPLQRGQFQNN-UHFFFAOYSA-N
MW522.24 g/mol
LogP4.76
Rot. Bonds10

About N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide

N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide (PubChem CID 3539768) has the molecular formula C21H22Br2N4O2 and a molecular weight of 522.24 g/mol. Its IUPAC name is N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
PubChem CID3539768
Molecular FormulaC21H22Br2N4O2
Molecular Weight522.24 g/mol
Exact Mass520.01
IUPAC NameN,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)NN=Cc1ccc(Br)cc1)NN=Cc1ccc(Br)cc1
InChIInChI=1S/C21H22Br2N4O2/c22-18-10-6-16(7-11-18)14-24-26-20(28)4-2-1-3-5-21(29)27-25-15-17-8-12-19(23)13-9-17/h6-15H,1-5H2,(H,26,28)(H,27,29)
InChIKeyOABPPLQRGQFQNN-UHFFFAOYSA-N
XLogP4.76
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.24
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23749398
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]octanamide
CID 90643317
[4-[(Z)-(hexadecanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 98296299
[4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 6380374
7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 135777450
N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide
CID 5346912
N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide
CID 126180534
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide
CID 54610044

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide?
The IUPAC name of N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide (CID 3539768) is N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide.
What is the SMILES notation for N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide?
The canonical SMILES for N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide is O=C(CCCCCC(=O)NN=Cc1ccc(Br)cc1)NN=Cc1ccc(Br)cc1.
What is the InChIKey of N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide?
The InChIKey is OABPPLQRGQFQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Br2N4O2/c22-18-10-6-16(7-11-18)14-24-26-20(28)4-2-1-3-5-21(29)27-25-15-17-8-12-19(23)13-9-17/h6-15H,1-5H2,(H,26,28)(H,27,29).
What are the key properties of N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide?
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide has a molecular weight of 522.24 g/mol, XLogP of 4.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide is sourced from PubChem (CID 3539768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).