N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide

C17H17BrN2O4 — CID 3930747

IUPACN-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NN=Cc2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C17H17BrN2O4/c1-22-13-7-12(8-14(9-13)23-2)17(21)20-19-10-11-4-5-16(24-3)15(18)6-11/h4-10H,1-3H3,(H,20,21)
InChIKeyRCMRZVBQUPVCHF-UHFFFAOYSA-N
MW393.24 g/mol
LogP3.24
Rot. Bonds6

About N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide

N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide (PubChem CID 3930747) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
PubChem CID3930747
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NN=Cc2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C17H17BrN2O4/c1-22-13-7-12(8-14(9-13)23-2)17(21)20-19-10-11-4-5-16(24-3)15(18)6-11/h4-10H,1-3H3,(H,20,21)
InChIKeyRCMRZVBQUPVCHF-UHFFFAOYSA-N
XLogP3.24
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
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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Related Compounds

N-[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 6041514
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 7368869
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215777
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126309366
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide
CID 5450738
2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide
CID 5397551
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9461147
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 5427556
N-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 4051654
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136919937
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 761682

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide (CID 3930747) is N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NN=Cc2ccc(OC)c(Br)c2)c1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The InChIKey is RCMRZVBQUPVCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-22-13-7-12(8-14(9-13)23-2)17(21)20-19-10-11-4-5-16(24-3)15(18)6-11/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide has a molecular weight of 393.24 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 3930747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).