N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide

C18H18Br2N2O2 — CID 133169560

IUPACN-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)cc1
InChIInChI=1S/C18H18Br2N2O2/c1-3-8-24-15-6-4-14(5-7-15)18(23)22-21-11-13-9-16(19)12(2)17(20)10-13/h4-7,9-11H,3,8H2,1-2H3,(H,22,23)/b21-11+
InChIKeyWLDHYRVROIOVQP-SRZZPIQSSA-N
MW454.16 g/mol
LogP5.07
Rot. Bonds6

About N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide

N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide (PubChem CID 133169560) has the molecular formula C18H18Br2N2O2 and a molecular weight of 454.16 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide
PubChem CID133169560
Molecular FormulaC18H18Br2N2O2
Molecular Weight454.16 g/mol
Exact Mass451.97
IUPAC NameN-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)cc1
InChIInChI=1S/C18H18Br2N2O2/c1-3-8-24-15-6-4-14(5-7-15)18(23)22-21-11-13-9-16(19)12(2)17(20)10-13/h4-7,9-11H,3,8H2,1-2H3,(H,22,23)/b21-11+
InChIKeyWLDHYRVROIOVQP-SRZZPIQSSA-N
XLogP5.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.16
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658848
N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658934
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169716
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
N-[(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-propoxybenzamide
CID 99945521
methyl 2-[4-[(E)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 133169409
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-propoxybenzamide
CID 133169452
N-[(Z)-(3,5-diiodo-4-propan-2-yloxyphenyl)methylideneamino]-4-propoxybenzamide
CID 99945386
4-bromo-N-[(E)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 126013966

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide (CID 133169560) is N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)cc1.
What is the InChIKey of N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide?
The InChIKey is WLDHYRVROIOVQP-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H18Br2N2O2/c1-3-8-24-15-6-4-14(5-7-15)18(23)22-21-11-13-9-16(19)12(2)17(20)10-13/h4-7,9-11H,3,8H2,1-2H3,(H,22,23)/b21-11+.
What are the key properties of N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide?
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide has a molecular weight of 454.16 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 133169560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).