N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide

C27H18BrCl3N2O2 — CID 135901021

IUPACN-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide
SMILESO=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C27H18BrCl3N2O2/c28-23-12-16(10-17-4-1-2-7-24(17)30)11-18(26(23)34)15-32-20-5-3-6-21(14-20)33-27(35)22-9-8-19(29)13-25(22)31/h1-9,11-15,34H,10H2,(H,33,35)/b32-15+
InChIKeyYXHUYRRFJIBZIH-VWJSQJICSA-N
MW588.72 g/mol
LogP8.71
Rot. Bonds6

About N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide

N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide (PubChem CID 135901021) has the molecular formula C27H18BrCl3N2O2 and a molecular weight of 588.72 g/mol. Its IUPAC name is N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide
PubChem CID135901021
Molecular FormulaC27H18BrCl3N2O2
Molecular Weight588.72 g/mol
Exact Mass585.96
IUPAC NameN-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide
SMILESO=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C27H18BrCl3N2O2/c28-23-12-16(10-17-4-1-2-7-24(17)30)11-18(26(23)34)15-32-20-5-3-6-21(14-20)33-27(35)22-9-8-19(29)13-25(22)31/h1-9,11-15,34H,10H2,(H,33,35)/b32-15+
InChIKeyYXHUYRRFJIBZIH-VWJSQJICSA-N
XLogP8.71
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.72
LogP ≤ 58.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide
CID 5130558
2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide
CID 143730123
N-[4-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]propanamide
CID 4160765
2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 136783676
N-[4-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 4063917
2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide
CID 4027526
2,4-dichloro-N-[4-[[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 137173692
2-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]iminomethyl]-6-bromo-4-[(2-chlorophenyl)methyl]phenol
CID 135573868
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
5-[[3-chloro-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3367864
3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
CID 87323399
2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298395

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide (CID 135901021) is N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide is O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide?
The InChIKey is YXHUYRRFJIBZIH-VWJSQJICSA-N. The full InChI is InChI=1S/C27H18BrCl3N2O2/c28-23-12-16(10-17-4-1-2-7-24(17)30)11-18(26(23)34)15-32-20-5-3-6-21(14-20)33-27(35)22-9-8-19(29)13-25(22)31/h1-9,11-15,34H,10H2,(H,33,35)/b32-15+.
What are the key properties of N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide?
N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide has a molecular weight of 588.72 g/mol, XLogP of 8.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 135901021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).