N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide

C17H18BrN3O — CID 5457542

IUPACN-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
SMILESC/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O/c1-12-3-9-16(10-4-12)19-11-17(22)21-20-13(2)14-5-7-15(18)8-6-14/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-13+
InChIKeyOITYSKMXVZYIFU-DEDYPNTBSA-N
MW360.26 g/mol
LogP3.71
Rot. Bonds5

About N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide

N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 5457542) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
PubChem CID5457542
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC NameN-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
SMILESC/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O/c1-12-3-9-16(10-4-12)19-11-17(22)21-20-13(2)14-5-7-15(18)8-6-14/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-13+
InChIKeyOITYSKMXVZYIFU-DEDYPNTBSA-N
XLogP3.71
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 ≤ 53.71
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-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 3461885
2-(4-ethoxyanilino)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5421665
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 16553710
2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide
CID 9143872
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416891
2-(2-chloroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5427824
2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 4037059
N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5099377
2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 6075641
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide (CID 5457542) is N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide is C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is OITYSKMXVZYIFU-DEDYPNTBSA-N. The full InChI is InChI=1S/C17H18BrN3O/c1-12-3-9-16(10-4-12)19-11-17(22)21-20-13(2)14-5-7-15(18)8-6-14/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-13+.
What are the key properties of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide?
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide has a molecular weight of 360.26 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 5457542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).