N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

C25H25BrN4O — CID 3788046

IUPACN-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESO=C(NN=Cc1ccc(Br)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H25BrN4O/c26-23-12-8-20(9-13-23)18-27-28-25(31)22-10-6-21(7-11-22)19-29-14-16-30(17-15-29)24-4-2-1-3-5-24/h1-13,18H,14-17,19H2,(H,28,31)
InChIKeyZMMUDNHWCOPRRA-UHFFFAOYSA-N
MW477.41 g/mol
LogP4.54
Rot. Bonds6

About N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (PubChem CID 3788046) has the molecular formula C25H25BrN4O and a molecular weight of 477.41 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
PubChem CID3788046
Molecular FormulaC25H25BrN4O
Molecular Weight477.41 g/mol
Exact Mass476.12
IUPAC NameN-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESO=C(NN=Cc1ccc(Br)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H25BrN4O/c26-23-12-8-20(9-13-23)18-27-28-25(31)22-10-6-21(7-11-22)19-29-14-16-30(17-15-29)24-4-2-1-3-5-24/h1-13,18H,14-17,19H2,(H,28,31)
InChIKeyZMMUDNHWCOPRRA-UHFFFAOYSA-N
XLogP4.54
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide 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

N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 124578511
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 124578501
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 92662313
4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide
CID 145127992
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
5-bromo-N-[(3,4-dimethylphenyl)methylideneamino]-2-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzoyl]amino]benzamide
CID 66638646
N-[[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 5094627
4-[(3-hydroxypiperidin-1-yl)methyl]-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 122452493
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933
N-[(Z)-[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 98058688

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (CID 3788046) is N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is O=C(NN=Cc1ccc(Br)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The InChIKey is ZMMUDNHWCOPRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN4O/c26-23-12-8-20(9-13-23)18-27-28-25(31)22-10-6-21(7-11-22)19-29-14-16-30(17-15-29)24-4-2-1-3-5-24/h1-13,18H,14-17,19H2,(H,28,31).
What are the key properties of N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide has a molecular weight of 477.41 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 3788046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).