N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide

C17H15BrClN3O3 — CID 4620256

IUPACN-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide
SMILESCc1cc(Br)cc(C=NNC(=O)CNC(=O)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C17H15BrClN3O3/c1-10-6-13(18)7-12(16(10)24)8-21-22-15(23)9-20-17(25)11-2-4-14(19)5-3-11/h2-8,24H,9H2,1H3,(H,20,25)(H,22,23)
InChIKeyYHQJCTOWSNYOSH-UHFFFAOYSA-N
MW424.68 g/mol
LogP3.00
Rot. Bonds5

About N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide

N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide (PubChem CID 4620256) has the molecular formula C17H15BrClN3O3 and a molecular weight of 424.68 g/mol. Its IUPAC name is N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide
PubChem CID4620256
Molecular FormulaC17H15BrClN3O3
Molecular Weight424.68 g/mol
Exact Mass423.00
IUPAC NameN-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide
SMILESCc1cc(Br)cc(C=NNC(=O)CNC(=O)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C17H15BrClN3O3/c1-10-6-13(18)7-12(16(10)24)8-21-22-15(23)9-20-17(25)11-2-4-14(19)5-3-11/h2-8,24H,9H2,1H3,(H,20,25)(H,22,23)
InChIKeyYHQJCTOWSNYOSH-UHFFFAOYSA-N
XLogP3.00
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.68
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2E)-2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 135419454
N-[2-[(2Z)-2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 136909100
4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 172960317
4-chloro-N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6172797
4-chloro-N-[2-[2-[(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3946515
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135643394
N-[2-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 5178952
4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3496807
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
CID 135643958
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 9165169
[4-bromo-2-[(E)-[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 51060688
[4-bromo-2-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3748834

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide (CID 4620256) is N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide is Cc1cc(Br)cc(C=NNC(=O)CNC(=O)c2ccc(Cl)cc2)c1O.
What is the InChIKey of N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide?
The InChIKey is YHQJCTOWSNYOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O3/c1-10-6-13(18)7-12(16(10)24)8-21-22-15(23)9-20-17(25)11-2-4-14(19)5-3-11/h2-8,24H,9H2,1H3,(H,20,25)(H,22,23).
What are the key properties of N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide?
N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide has a molecular weight of 424.68 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide is sourced from PubChem (CID 4620256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).