N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide

C18H18BrN3O — CID 126457936

IUPACN-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide
SMILESCc1ccccc1NCC(=O)N/N=C\C=C\c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O/c1-14-5-2-3-7-17(14)20-13-18(23)22-21-12-4-6-15-8-10-16(19)11-9-15/h2-12,20H,13H2,1H3,(H,22,23)/b6-4+,21-12-
InChIKeyAGGJQSBAMIKHGL-PWXLJDLCSA-N
MW372.27 g/mol
LogP3.98
Rot. Bonds6

About N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide

N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide (PubChem CID 126457936) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide
PubChem CID126457936
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC NameN-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide
SMILESCc1ccccc1NCC(=O)N/N=C\C=C\c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O/c1-14-5-2-3-7-17(14)20-13-18(23)22-21-12-4-6-15-8-10-16(19)11-9-15/h2-12,20H,13H2,1H3,(H,22,23)/b6-4+,21-12-
InChIKeyAGGJQSBAMIKHGL-PWXLJDLCSA-N
XLogP3.98
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.98
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'}

Analyze N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135419703
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2-methylanilino)acetamide
CID 2850395
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
N-[(4-bromophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630248
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290
2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129438781
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5414254
N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135939477
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19183254
[4-[(Z)-[[2-(2-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 6040606
N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2-(2-methylanilino)acetamide
CID 93046781
2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6875330

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide?
The IUPAC name of N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide (CID 126457936) is N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide is Cc1ccccc1NCC(=O)N/N=C\C=C\c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide?
The InChIKey is AGGJQSBAMIKHGL-PWXLJDLCSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-14-5-2-3-7-17(14)20-13-18(23)22-21-12-4-6-15-8-10-16(19)11-9-15/h2-12,20H,13H2,1H3,(H,22,23)/b6-4+,21-12-.
What are the key properties of N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide?
N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide has a molecular weight of 372.27 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(2-methylanilino)acetamide is sourced from PubChem (CID 126457936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).