N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide

C17H18BrN3O — CID 19060941

IUPACN-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1
InChIInChI=1S/C17H18BrN3O/c1-12-6-4-5-7-14(12)17(22)20-19-11-13-8-9-16(21(2)3)15(18)10-13/h4-11H,1-3H3,(H,20,22)/b19-11+
InChIKeyYEDIZFRVKIFVJQ-YBFXNURJSA-N
MW360.26 g/mol
LogP3.59
Rot. Bonds4

About N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide

N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide (PubChem CID 19060941) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide
PubChem CID19060941
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC NameN-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1
InChIInChI=1S/C17H18BrN3O/c1-12-6-4-5-7-14(12)17(22)20-19-11-13-8-9-16(21(2)3)15(18)10-13/h4-11H,1-3H3,(H,20,22)/b19-11+
InChIKeyYEDIZFRVKIFVJQ-YBFXNURJSA-N
XLogP3.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.59
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

N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
CID 4129922
2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9016525
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide
CID 168908017
N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246243
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-hydroxybenzamide
CID 126052608
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658934
N-[(Z)-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 98050402
2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 7832175
2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4924395

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide (CID 19060941) is N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide is Cc1ccccc1C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1.
What is the InChIKey of N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide?
The InChIKey is YEDIZFRVKIFVJQ-YBFXNURJSA-N. The full InChI is InChI=1S/C17H18BrN3O/c1-12-6-4-5-7-14(12)17(22)20-19-11-13-8-9-16(21(2)3)15(18)10-13/h4-11H,1-3H3,(H,20,22)/b19-11+.
What are the key properties of N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide?
N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide has a molecular weight of 360.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 19060941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).