N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide

C18H19BrN2O2 — CID 3424638

IUPACN-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(/N=C/c2cc(C)cc(Br)c2O)cc1
InChIInChI=1S/C18H19BrN2O2/c1-3-4-17(22)21-15-7-5-14(6-8-15)20-11-13-9-12(2)10-16(19)18(13)23/h5-11,23H,3-4H2,1-2H3,(H,21,22)/b20-11+
InChIKeyPNQHFPXJPFVKKD-RGVLZGJSSA-N
MW375.27 g/mol
LogP4.95
Rot. Bonds5

About N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide

N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide (PubChem CID 3424638) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide
PubChem CID3424638
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(/N=C/c2cc(C)cc(Br)c2O)cc1
InChIInChI=1S/C18H19BrN2O2/c1-3-4-17(22)21-15-7-5-14(6-8-15)20-11-13-9-12(2)10-16(19)18(13)23/h5-11,23H,3-4H2,1-2H3,(H,21,22)/b20-11+
InChIKeyPNQHFPXJPFVKKD-RGVLZGJSSA-N
XLogP4.95
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.95
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-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide
CID 3936044
N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
CID 4054098
2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol
CID 4630820
N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide
CID 835055
N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide
CID 4508385
N-[4-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]propanamide
CID 4160765
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N-(3-amino-4-bromophenyl)butanamide
CID 79768270
N-[4-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide
CID 4508173
ethyl 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzoate
CID 1286584
N-(4-methylphenyl)pentanamide
CID 3662375

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide?
The IUPAC name of N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide (CID 3424638) is N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide.
What is the SMILES notation for N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide?
The canonical SMILES for N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide is CCCC(=O)Nc1ccc(/N=C/c2cc(C)cc(Br)c2O)cc1.
What is the InChIKey of N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide?
The InChIKey is PNQHFPXJPFVKKD-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-3-4-17(22)21-15-7-5-14(6-8-15)20-11-13-9-12(2)10-16(19)18(13)23/h5-11,23H,3-4H2,1-2H3,(H,21,22)/b20-11+.
What are the key properties of N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide?
N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide has a molecular weight of 375.27 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide is sourced from PubChem (CID 3424638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).