N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide

C19H18BrCl2N3O2 — CID 3661871

IUPACN-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C19H18BrCl2N3O2/c1-11(2)17(24-18(26)15-7-6-14(21)9-16(15)22)19(27)25-23-10-12-4-3-5-13(20)8-12/h3-11,17H,1-2H3,(H,24,26)(H,25,27)
InChIKeyJAKYEFMNUSDVIN-UHFFFAOYSA-N
MW471.18 g/mol
LogP4.66
Rot. Bonds6

About N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide

N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide (PubChem CID 3661871) has the molecular formula C19H18BrCl2N3O2 and a molecular weight of 471.18 g/mol. Its IUPAC name is N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
PubChem CID3661871
Molecular FormulaC19H18BrCl2N3O2
Molecular Weight471.18 g/mol
Exact Mass469.00
IUPAC NameN-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C19H18BrCl2N3O2/c1-11(2)17(24-18(26)15-7-6-14(21)9-16(15)22)19(27)25-23-10-12-4-3-5-13(20)8-12/h3-11,17H,1-2H3,(H,24,26)(H,25,27)
InChIKeyJAKYEFMNUSDVIN-UHFFFAOYSA-N
XLogP4.66
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.18
LogP ≤ 54.66
H-Bond Donors ≤ 52
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'}

Analyze N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide 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

2,4-dichloro-N-[3-methyl-1-oxo-1-[2-(pyridin-4-ylmethylidene)hydrazinyl]butan-2-yl]benzamide
CID 4277524
2,4-dichloro-N-[1-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3483697
2,4-dichloro-N-[1-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3436984
N-[1-[(2E)-2-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
CID 135715707
4-chloro-N-[1-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 5169135
2,4-dichloro-N-[1-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3367369
2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[(2Z)-2-[(1-propan-2-ylindol-3-yl)methylidene]hydrazinyl]butan-2-yl]benzamide
CID 126165383
N-[1-[2-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
CID 3878357
2,4-dichloro-N-[1-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 6185241
N-[1-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 5132764
N-[1-[2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 3874102
2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3483297

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide (CID 3661871) is N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide is CC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NN=Cc1cccc(Br)c1.
What is the InChIKey of N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide?
The InChIKey is JAKYEFMNUSDVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrCl2N3O2/c1-11(2)17(24-18(26)15-7-6-14(21)9-16(15)22)19(27)25-23-10-12-4-3-5-13(20)8-12/h3-11,17H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide?
N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide has a molecular weight of 471.18 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 3661871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).