N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide

C17H15BrCl2N2O2 — CID 3936044

IUPACN-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1Cl
InChIInChI=1S/C17H15BrCl2N2O2/c1-2-3-16(23)22-15-8-12(4-5-14(15)20)21-9-10-6-11(19)7-13(18)17(10)24/h4-9,24H,2-3H2,1H3,(H,22,23)/b21-9+
InChIKeyOZEHFIHVJFPIJR-ZVBGSRNCSA-N
MW430.13 g/mol
LogP5.95
Rot. Bonds5

About N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide

N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide (PubChem CID 3936044) has the molecular formula C17H15BrCl2N2O2 and a molecular weight of 430.13 g/mol. Its IUPAC name is N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide.

Molecular Properties

Compound NameN-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide
PubChem CID3936044
Molecular FormulaC17H15BrCl2N2O2
Molecular Weight430.13 g/mol
Exact Mass427.97
IUPAC NameN-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1Cl
InChIInChI=1S/C17H15BrCl2N2O2/c1-2-3-16(23)22-15-8-12(4-5-14(15)20)21-9-10-6-11(19)7-13(18)17(10)24/h4-9,24H,2-3H2,1H3,(H,22,23)/b21-9+
InChIKeyOZEHFIHVJFPIJR-ZVBGSRNCSA-N
XLogP5.95
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.13
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide
CID 3424638
N-(2-chloro-5-hydroxyphenyl)butanamide
CID 137473270
N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide
CID 4508385
2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol
CID 162660236
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 136826715
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 136720696
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide
CID 4508173
N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
CID 4054098
N-(2-chlorophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]butanediamide
CID 136670499
N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 60629893

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide?
The IUPAC name of N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide (CID 3936044) is N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide.
What is the SMILES notation for N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide?
The canonical SMILES for N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide is CCCC(=O)Nc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1Cl.
What is the InChIKey of N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide?
The InChIKey is OZEHFIHVJFPIJR-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H15BrCl2N2O2/c1-2-3-16(23)22-15-8-12(4-5-14(15)20)21-9-10-6-11(19)7-13(18)17(10)24/h4-9,24H,2-3H2,1H3,(H,22,23)/b21-9+.
What are the key properties of N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide?
N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide has a molecular weight of 430.13 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide is sourced from PubChem (CID 3936044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).