N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide

C23H19BrClFN2O3 — CID 126058299

IUPACN-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCc1ccc(F)cc1
InChIInChI=1S/C23H19BrClFN2O3/c1-14-3-8-18(20(25)9-14)23(29)28-27-12-16-10-21(30-2)22(11-19(16)24)31-13-15-4-6-17(26)7-5-15/h3-12H,13H2,1-2H3,(H,28,29)/b27-12-
InChIKeyOBCKXVBGYHSMOX-PPDIBHTLSA-N
MW505.77 g/mol
LogP5.90
Rot. Bonds7

About N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide

N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide (PubChem CID 126058299) has the molecular formula C23H19BrClFN2O3 and a molecular weight of 505.77 g/mol. Its IUPAC name is N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide
PubChem CID126058299
Molecular FormulaC23H19BrClFN2O3
Molecular Weight505.77 g/mol
Exact Mass504.03
IUPAC NameN-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCc1ccc(F)cc1
InChIInChI=1S/C23H19BrClFN2O3/c1-14-3-8-18(20(25)9-14)23(29)28-27-12-16-10-21(30-2)22(11-19(16)24)31-13-15-4-6-17(26)7-5-15/h3-12H,13H2,1-2H3,(H,28,29)/b27-12-
InChIKeyOBCKXVBGYHSMOX-PPDIBHTLSA-N
XLogP5.90
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.77
LogP ≤ 55.90
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'}

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Related Compounds

N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3667071
2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126060012
2,4-dichloro-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 96885111
N-[(E)-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 126085583
N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6156626
2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126058298
2-chloro-N-[(Z)-[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide
CID 126057683
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016566
N-[(Z)-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide
CID 126059918
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 3558422
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 5134261
3,5-dibromo-N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 3448520

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide?
The IUPAC name of N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide (CID 126058299) is N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide?
The canonical SMILES for N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide is COc1cc(/C=N\NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCc1ccc(F)cc1.
What is the InChIKey of N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide?
The InChIKey is OBCKXVBGYHSMOX-PPDIBHTLSA-N. The full InChI is InChI=1S/C23H19BrClFN2O3/c1-14-3-8-18(20(25)9-14)23(29)28-27-12-16-10-21(30-2)22(11-19(16)24)31-13-15-4-6-17(26)7-5-15/h3-12H,13H2,1-2H3,(H,28,29)/b27-12-.
What are the key properties of N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide?
N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide has a molecular weight of 505.77 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-chloro-4-methylbenzamide is sourced from PubChem (CID 126058299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).