N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide

C14H8BrCl3N2O2 — CID 136904981

IUPACN-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
SMILESO=C(N/N=C\c1cc(Cl)cc(Br)c1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8BrCl3N2O2/c15-11-4-9(17)3-7(13(11)21)6-19-20-14(22)10-2-1-8(16)5-12(10)18/h1-6,21H,(H,20,22)/b19-6-
InChIKeyYYIGQRMWYDMJNC-SWNXQHNESA-N
MW422.49 g/mol
LogP4.88
Rot. Bonds3

About N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide

N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide (PubChem CID 136904981) has the molecular formula C14H8BrCl3N2O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
PubChem CID136904981
Molecular FormulaC14H8BrCl3N2O2
Molecular Weight422.49 g/mol
Exact Mass419.88
IUPAC NameN-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
SMILESO=C(N/N=C\c1cc(Cl)cc(Br)c1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8BrCl3N2O2/c15-11-4-9(17)3-7(13(11)21)6-19-20-14(22)10-2-1-8(16)5-12(10)18/h1-6,21H,(H,20,22)/b19-6-
InChIKeyYYIGQRMWYDMJNC-SWNXQHNESA-N
XLogP4.88
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2,4-dichloro-N-[4-[[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 137173692
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 137069281
2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136661445
2,4-dichloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 136750620
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 3472596
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 137127853
N-[(Z)-(2-bromophenyl)methylideneamino]-3,5-dichloro-2-hydroxybenzamide
CID 7326637
2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136749231
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
CID 71557223
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide
CID 126007261
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 137131275

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide?
The IUPAC name of N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide (CID 136904981) is N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide is O=C(N/N=C\c1cc(Cl)cc(Br)c1O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide?
The InChIKey is YYIGQRMWYDMJNC-SWNXQHNESA-N. The full InChI is InChI=1S/C14H8BrCl3N2O2/c15-11-4-9(17)3-7(13(11)21)6-19-20-14(22)10-2-1-8(16)5-12(10)18/h1-6,21H,(H,20,22)/b19-6-.
What are the key properties of N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide?
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide has a molecular weight of 422.49 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide is sourced from PubChem (CID 136904981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).