3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide

C18H19BrN2O2 — CID 6314277

IUPAC3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/c2ccccc2)C(C)C)cc1Br
InChIInChI=1S/C18H19BrN2O2/c1-12(2)17(13-7-5-4-6-8-13)20-21-18(22)14-9-10-16(23-3)15(19)11-14/h4-12H,1-3H3,(H,21,22)/b20-17+
InChIKeyHWAZLZVJDPJYOK-LVZFUZTISA-N
MW375.27 g/mol
LogP4.25
Rot. Bonds5

About 3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide

3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide (PubChem CID 6314277) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
PubChem CID6314277
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/c2ccccc2)C(C)C)cc1Br
InChIInChI=1S/C18H19BrN2O2/c1-12(2)17(13-7-5-4-6-8-13)20-21-18(22)14-9-10-16(23-3)15(19)11-14/h4-12H,1-3H3,(H,21,22)/b20-17+
InChIKeyHWAZLZVJDPJYOK-LVZFUZTISA-N
XLogP4.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.25
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

3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide
CID 135560290
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide
CID 5259004
4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 5417702
2-[(3-bromo-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 43241906
3-bromo-4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1139228
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
3-bromo-N-(2-bromo-2-phenylethyl)-4-methoxybenzamide
CID 114308336
4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide
CID 4183626
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide
CID 63182178
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide (CID 6314277) is 3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide is COc1ccc(C(=O)N/N=C(/c2ccccc2)C(C)C)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide?
The InChIKey is HWAZLZVJDPJYOK-LVZFUZTISA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12(2)17(13-7-5-4-6-8-13)20-21-18(22)14-9-10-16(23-3)15(19)11-14/h4-12H,1-3H3,(H,21,22)/b20-17+.
What are the key properties of 3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide?
3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide has a molecular weight of 375.27 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide is sourced from PubChem (CID 6314277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).