N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide

C24H21Br2ClN2O3 — CID 19061311

IUPACN-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H21Br2ClN2O3/c1-2-31-22-12-18(14-28-29-23(30)13-16-3-7-19(25)8-4-16)11-21(26)24(22)32-15-17-5-9-20(27)10-6-17/h3-12,14H,2,13,15H2,1H3,(H,29,30)/b28-14-
InChIKeyAVVGTXGGEGBLQX-MUXKCCDJSA-N
MW580.70 g/mol
LogP6.54
Rot. Bonds9

About N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide

N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide (PubChem CID 19061311) has the molecular formula C24H21Br2ClN2O3 and a molecular weight of 580.70 g/mol. Its IUPAC name is N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide
PubChem CID19061311
Molecular FormulaC24H21Br2ClN2O3
Molecular Weight580.70 g/mol
Exact Mass577.96
IUPAC NameN-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H21Br2ClN2O3/c1-2-31-22-12-18(14-28-29-23(30)13-16-3-7-19(25)8-4-16)11-21(26)24(22)32-15-17-5-9-20(27)10-6-17/h3-12,14H,2,13,15H2,1H3,(H,29,30)/b28-14-
InChIKeyAVVGTXGGEGBLQX-MUXKCCDJSA-N
XLogP6.54
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.70
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'}

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Related Compounds

N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143716
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126367833
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-chlorophenyl)acetamide
CID 4548151
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 3466078
[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
CID 6872613
[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
CID 1001790
N-[(E)-[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-(4-bromophenyl)acetamide
CID 98050578
N-[(E)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364041
2-anilino-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]acetamide
CID 126386466
N-[(E)-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368624
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 93066684
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126251896

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide?
The IUPAC name of N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide (CID 19061311) is N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide is CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide?
The InChIKey is AVVGTXGGEGBLQX-MUXKCCDJSA-N. The full InChI is InChI=1S/C24H21Br2ClN2O3/c1-2-31-22-12-18(14-28-29-23(30)13-16-3-7-19(25)8-4-16)11-21(26)24(22)32-15-17-5-9-20(27)10-6-17/h3-12,14H,2,13,15H2,1H3,(H,29,30)/b28-14-.
What are the key properties of N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide?
N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide has a molecular weight of 580.70 g/mol, XLogP of 6.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 19061311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).