3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C16H12BrCl2N3O2 — CID 6249030

IUPAC3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)N/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C16H12BrCl2N3O2/c17-11-4-1-3-10(7-11)16(24)20-9-15(23)22-21-8-12-13(18)5-2-6-14(12)19/h1-8H,9H2,(H,20,24)(H,22,23)/b21-8-
InChIKeyYBMBJBHDQQRVTP-WNFQYIGGSA-N
MW429.10 g/mol
LogP3.64
Rot. Bonds5

About 3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 6249030) has the molecular formula C16H12BrCl2N3O2 and a molecular weight of 429.10 g/mol. Its IUPAC name is 3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID6249030
Molecular FormulaC16H12BrCl2N3O2
Molecular Weight429.10 g/mol
Exact Mass426.95
IUPAC Name3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)N/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C16H12BrCl2N3O2/c17-11-4-1-3-10(7-11)16(24)20-9-15(23)22-21-8-12-13(18)5-2-6-14(12)19/h1-8H,9H2,(H,20,24)(H,22,23)/b21-8-
InChIKeyYBMBJBHDQQRVTP-WNFQYIGGSA-N
XLogP3.64
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.10
LogP ≤ 53.64
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'}

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Related Compounds

3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
3-bromo-N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4316805
3-bromo-N-[2-[(2E)-2-[(2-chloro-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 51061358
[4-[(E)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 51060563
[2-[(E)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51061855
3-bromo-N-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3871550
3-bromo-N-[2-[(2E)-2-[(5-bromo-2-propoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 51061124
3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6283954
3-bromo-N-[2-oxo-2-[(2Z)-2-[(3-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 92844091
3-bromo-N-[2-[(2E)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 51060854
3-chloro-N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3258784
4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3496807

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 6249030) is 3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)N/N=C\c1c(Cl)cccc1Cl.
What is the InChIKey of 3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is YBMBJBHDQQRVTP-WNFQYIGGSA-N. The full InChI is InChI=1S/C16H12BrCl2N3O2/c17-11-4-1-3-10(7-11)16(24)20-9-15(23)22-21-8-12-13(18)5-2-6-14(12)19/h1-8H,9H2,(H,20,24)(H,22,23)/b21-8-.
What are the key properties of 3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 429.10 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 6249030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).