N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide

C17H18BrN3O — CID 6078696

IUPACN-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)N/N=C\c1cccc(Br)c1
InChIInChI=1S/C17H18BrN3O/c1-12-5-3-6-13(2)17(12)19-11-16(22)21-20-10-14-7-4-8-15(18)9-14/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-10-
InChIKeySNIOBUJTSUCULN-JMIUGGIZSA-N
MW360.26 g/mol
LogP3.63
Rot. Bonds5

About N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide

N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide (PubChem CID 6078696) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide
PubChem CID6078696
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC NameN-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)N/N=C\c1cccc(Br)c1
InChIInChI=1S/C17H18BrN3O/c1-12-5-3-6-13(2)17(12)19-11-16(22)21-20-10-14-7-4-8-15(18)9-14/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-10-
InChIKeySNIOBUJTSUCULN-JMIUGGIZSA-N
XLogP3.63
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.63
H-Bond Donors ≤ 52
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,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 6092833
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5457961
2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6052254
2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
CID 19617349
N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
CID 4129922
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide
CID 6056765
N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6902080
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 45054475
2-(2,6-dimethylanilino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3726528

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide?
The IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide (CID 6078696) is N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide?
The canonical SMILES for N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide is Cc1cccc(C)c1NCC(=O)N/N=C\c1cccc(Br)c1.
What is the InChIKey of N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide?
The InChIKey is SNIOBUJTSUCULN-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H18BrN3O/c1-12-5-3-6-13(2)17(12)19-11-16(22)21-20-10-14-7-4-8-15(18)9-14/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide?
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide has a molecular weight of 360.26 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide is sourced from PubChem (CID 6078696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).