2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide

C19H21BrClN3O3 — CID 42996797

IUPAC2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1cc(/C=N/Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC(=O)N(C)C
InChIInChI=1S/C19H21BrClN3O3/c1-12-5-6-14(9-16(12)21)23-22-10-13-7-15(20)19(17(8-13)26-4)27-11-18(25)24(2)3/h5-10,23H,11H2,1-4H3/b22-10+
InChIKeyZJRJVFVRVPEWBX-LSHDLFTRSA-N
MW454.75 g/mol
LogP4.33
Rot. Bonds7

About 2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide

2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide (PubChem CID 42996797) has the molecular formula C19H21BrClN3O3 and a molecular weight of 454.75 g/mol. Its IUPAC name is 2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide
PubChem CID42996797
Molecular FormulaC19H21BrClN3O3
Molecular Weight454.75 g/mol
Exact Mass453.05
IUPAC Name2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1cc(/C=N/Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC(=O)N(C)C
InChIInChI=1S/C19H21BrClN3O3/c1-12-5-6-14(9-16(12)21)23-22-10-13-7-15(20)19(17(8-13)26-4)27-11-18(25)24(2)3/h5-10,23H,11H2,1-4H3/b22-10+
InChIKeyZJRJVFVRVPEWBX-LSHDLFTRSA-N
XLogP4.33
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.75
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide 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

methyl 2-[2-bromo-4-[[[3-(3-chloro-4-methylanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 5099542
ethyl 2-[2-bromo-4-[[[4-(3-chloro-4-methylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 3952485
N-[(E)-[3-bromo-4-[2-(dimethylamino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 6909468
2-[4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N,N-dipropylacetamide
CID 110842509
2-[2-bromo-6-methoxy-4-[[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N,N-dimethylacetamide
CID 4856004
4-amino-N-[(E)-[3-bromo-4-[2-(dimethylamino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 6909101
methyl 2-[2-bromo-6-methoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetate
CID 169383445
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505059
N'-[(Z)-[3-bromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
CID 126173004
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-chloroaniline
CID 110506158
3-chloro-N-[(E)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-methylaniline
CID 110506514
N-[(E)-[3-bromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126318210

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide (CID 42996797) is 2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide is COc1cc(/C=N/Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC(=O)N(C)C.
What is the InChIKey of 2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide?
The InChIKey is ZJRJVFVRVPEWBX-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H21BrClN3O3/c1-12-5-6-14(9-16(12)21)23-22-10-13-7-15(20)19(17(8-13)26-4)27-11-18(25)24(2)3/h5-10,23H,11H2,1-4H3/b22-10+.
What are the key properties of 2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide?
2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide has a molecular weight of 454.75 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 42996797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).