N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide

C27H26Br2ClN3O3 — CID 3515433

IUPACN-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C27H26Br2ClN3O3/c1-17(2)13-24(32-26(34)20-6-10-22(30)11-7-20)27(35)33-31-15-19-5-12-25(23(29)14-19)36-16-18-3-8-21(28)9-4-18/h3-12,14-15,17,24H,13,16H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyXTECDIWOHYQOQH-UHFFFAOYSA-N
MW635.78 g/mol
LogP6.74
Rot. Bonds10

About N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide

N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide (PubChem CID 3515433) has the molecular formula C27H26Br2ClN3O3 and a molecular weight of 635.78 g/mol. Its IUPAC name is N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
PubChem CID3515433
Molecular FormulaC27H26Br2ClN3O3
Molecular Weight635.78 g/mol
Exact Mass633.00
IUPAC NameN-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C27H26Br2ClN3O3/c1-17(2)13-24(32-26(34)20-6-10-22(30)11-7-20)27(35)33-31-15-19-5-12-25(23(29)14-19)36-16-18-3-8-21(28)9-4-18/h3-12,14-15,17,24H,13,16H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyXTECDIWOHYQOQH-UHFFFAOYSA-N
XLogP6.74
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.78
LogP ≤ 56.74
H-Bond Donors ≤ 52
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-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide 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-[1-[2-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 4661949
4-chloro-N-[1-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 4314856
4-chloro-N-[1-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 5109361
ethyl 2-[2-bromo-4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 4041554
N-[1-[2-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 3563079
4-chloro-N-[1-[2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 3962023
N-[(Z)-[3-bromo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 126199927
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126323347
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126319422
N'-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(4-chlorophenyl)propanediamide
CID 3929514
4-chloro-N-[4-methyl-1-[2-[(4-methylphenyl)methylidene]hydrazinyl]-1-oxopentan-2-yl]benzamide
CID 3394497
4-chloro-N-[4-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide
CID 3526177

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide (CID 3515433) is N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1.
What is the InChIKey of N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
The InChIKey is XTECDIWOHYQOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Br2ClN3O3/c1-17(2)13-24(32-26(34)20-6-10-22(30)11-7-20)27(35)33-31-15-19-5-12-25(23(29)14-19)36-16-18-3-8-21(28)9-4-18/h3-12,14-15,17,24H,13,16H2,1-2H3,(H,32,34)(H,33,35).
What are the key properties of N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide?
N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide has a molecular weight of 635.78 g/mol, XLogP of 6.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 3515433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).