N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide

C19H20BrN3O4 — CID 6875645

IUPACN-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)cc2OC)cc1
InChIInChI=1S/C19H20BrN3O4/c1-4-18(24)22-14-7-5-12(6-8-14)19(25)23-21-11-13-9-15(20)17(27-3)10-16(13)26-2/h5-11H,4H2,1-3H3,(H,22,24)(H,23,25)/b21-11+
InChIKeySNHZOCYGFMEAID-SRZZPIQSSA-N
MW434.29 g/mol
LogP3.58
Rot. Bonds7

About N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide

N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide (PubChem CID 6875645) has the molecular formula C19H20BrN3O4 and a molecular weight of 434.29 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
PubChem CID6875645
Molecular FormulaC19H20BrN3O4
Molecular Weight434.29 g/mol
Exact Mass433.06
IUPAC NameN-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)cc2OC)cc1
InChIInChI=1S/C19H20BrN3O4/c1-4-18(24)22-14-7-5-12(6-8-14)19(25)23-21-11-13-9-15(20)17(27-3)10-16(13)26-2/h5-11H,4H2,1-3H3,(H,22,24)(H,23,25)/b21-11+
InChIKeySNHZOCYGFMEAID-SRZZPIQSSA-N
XLogP3.58
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide?
The IUPAC name of N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide (CID 6875645) is N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)cc2OC)cc1.
What is the InChIKey of N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide?
The InChIKey is SNHZOCYGFMEAID-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H20BrN3O4/c1-4-18(24)22-14-7-5-12(6-8-14)19(25)23-21-11-13-9-15(20)17(27-3)10-16(13)26-2/h5-11H,4H2,1-3H3,(H,22,24)(H,23,25)/b21-11+.
What are the key properties of N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide?
N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide has a molecular weight of 434.29 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide is sourced from PubChem (CID 6875645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).