N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide

C27H22BrClN2O3 — CID 3819897

IUPACN-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCOc1cc(C=NNC(=O)Cc2cccc3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C27H22BrClN2O3/c1-33-25-13-21(24(28)15-26(25)34-17-18-9-11-22(29)12-10-18)16-30-31-27(32)14-20-7-4-6-19-5-2-3-8-23(19)20/h2-13,15-16H,14,17H2,1H3,(H,31,32)
InChIKeyWIUOUTUDAGZMOV-UHFFFAOYSA-N
MW537.84 g/mol
LogP6.54
Rot. Bonds8

About N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide

N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 3819897) has the molecular formula C27H22BrClN2O3 and a molecular weight of 537.84 g/mol. Its IUPAC name is N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID3819897
Molecular FormulaC27H22BrClN2O3
Molecular Weight537.84 g/mol
Exact Mass536.05
IUPAC NameN-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCOc1cc(C=NNC(=O)Cc2cccc3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C27H22BrClN2O3/c1-33-25-13-21(24(28)15-26(25)34-17-18-9-11-22(29)12-10-18)16-30-31-27(32)14-20-7-4-6-19-5-2-3-8-23(19)20/h2-13,15-16H,14,17H2,1H3,(H,31,32)
InChIKeyWIUOUTUDAGZMOV-UHFFFAOYSA-N
XLogP6.54
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.84
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide 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

[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 126085472
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 3558422
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 3466078
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3627606
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126262498
N-[(Z)-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126177873
N-[(E)-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 126085583
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 1368568
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 5134261
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 5430737
N-[(E)-(5-chloro-2-octoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 124555287
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide (CID 3819897) is N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide is COc1cc(C=NNC(=O)Cc2cccc3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is WIUOUTUDAGZMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22BrClN2O3/c1-33-25-13-21(24(28)15-26(25)34-17-18-9-11-22(29)12-10-18)16-30-31-27(32)14-20-7-4-6-19-5-2-3-8-23(19)20/h2-13,15-16H,14,17H2,1H3,(H,31,32).
What are the key properties of N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 537.84 g/mol, XLogP of 6.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 3819897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).