N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide

C24H22BrClN2O2 — CID 4508385

IUPACN-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c1
InChIInChI=1S/C24H22BrClN2O2/c1-2-6-23(29)28-19-9-10-21(26)22(14-19)27-15-18-12-17(13-20(25)24(18)30)11-16-7-4-3-5-8-16/h3-5,7-10,12-15,30H,2,6,11H2,1H3,(H,28,29)/b27-15+
InChIKeyYWJCPCGYHGYXLA-JFLMPSFJSA-N
MW485.81 g/mol
LogP6.89
Rot. Bonds7

About N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide

N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide (PubChem CID 4508385) has the molecular formula C24H22BrClN2O2 and a molecular weight of 485.81 g/mol. Its IUPAC name is N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide.

Molecular Properties

Compound NameN-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide
PubChem CID4508385
Molecular FormulaC24H22BrClN2O2
Molecular Weight485.81 g/mol
Exact Mass484.06
IUPAC NameN-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c1
InChIInChI=1S/C24H22BrClN2O2/c1-2-6-23(29)28-19-9-10-21(26)22(14-19)27-15-18-12-17(13-20(25)24(18)30)11-16-7-4-3-5-8-16/h3-5,7-10,12-15,30H,2,6,11H2,1H3,(H,28,29)/b27-15+
InChIKeyYWJCPCGYHGYXLA-JFLMPSFJSA-N
XLogP6.89
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.81
LogP ≤ 56.89
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-chloro-3-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]phenyl]butanamide
CID 4508173
N-[4-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]propanamide
CID 4160765
N-[4-chloro-3-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]butanamide
CID 4508373
N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide
CID 3424638
N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide
CID 3936044
4-benzyl-2-bromo-6-[(4-methylphenyl)iminomethyl]phenol
CID 3961983
N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
CID 3328322
N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide
CID 5130558
N-[3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-4-chlorophenyl]butanamide
CID 54831415
4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol
CID 3371696
N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
CID 4054098
N-[(E)-[5-benzyl-3-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-hydroxyphenyl]methylideneamino]-3-bromobenzamide
CID 135437640

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide?
The IUPAC name of N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide (CID 4508385) is N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide.
What is the SMILES notation for N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide?
The canonical SMILES for N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c1.
What is the InChIKey of N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide?
The InChIKey is YWJCPCGYHGYXLA-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H22BrClN2O2/c1-2-6-23(29)28-19-9-10-21(26)22(14-19)27-15-18-12-17(13-20(25)24(18)30)11-16-7-4-3-5-8-16/h3-5,7-10,12-15,30H,2,6,11H2,1H3,(H,28,29)/b27-15+.
What are the key properties of N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide?
N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide has a molecular weight of 485.81 g/mol, XLogP of 6.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide is sourced from PubChem (CID 4508385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).