2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide

C17H17BrN2O2 — CID 7937148

IUPAC2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
SMILESCOc1ccc(C/C(C)=N\NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H17BrN2O2/c1-12(11-13-7-9-14(22-2)10-8-13)19-20-17(21)15-5-3-4-6-16(15)18/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-
InChIKeyAWWLTYWAQWQSPV-UNOMPAQXSA-N
MW361.24 g/mol
LogP3.81
Rot. Bonds5

About 2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide

2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide (PubChem CID 7937148) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
PubChem CID7937148
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
SMILESCOc1ccc(C/C(C)=N\NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H17BrN2O2/c1-12(11-13-7-9-14(22-2)10-8-13)19-20-17(21)15-5-3-4-6-16(15)18/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-
InChIKeyAWWLTYWAQWQSPV-UNOMPAQXSA-N
XLogP3.81
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.81
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

2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 4307399
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
2-bromo-N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]benzamide
CID 9016538
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 4060518
N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide
CID 9120892
3-iodo-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 3923844
2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide
CID 3105443
N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide
CID 9234745
N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide
CID 3873637
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315927

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide (CID 7937148) is 2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide is COc1ccc(C/C(C)=N\NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide?
The InChIKey is AWWLTYWAQWQSPV-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12(11-13-7-9-14(22-2)10-8-13)19-20-17(21)15-5-3-4-6-16(15)18/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-.
What are the key properties of 2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide?
2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide has a molecular weight of 361.24 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide is sourced from PubChem (CID 7937148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).