2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide

C19H23BrN4O — CID 6107639

IUPAC2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H23BrN4O/c1-3-24(4-2)18-11-5-15(6-12-18)13-22-23-19(25)14-21-17-9-7-16(20)8-10-17/h5-13,21H,3-4,14H2,1-2H3,(H,23,25)/b22-13-
InChIKeyPOENMACIQIUNEX-XKZIYDEJSA-N
MW403.32 g/mol
LogP3.86
Rot. Bonds8

About 2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide

2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide (PubChem CID 6107639) has the molecular formula C19H23BrN4O and a molecular weight of 403.32 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
PubChem CID6107639
Molecular FormulaC19H23BrN4O
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC Name2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H23BrN4O/c1-3-24(4-2)18-11-5-15(6-12-18)13-22-23-19(25)14-21-17-9-7-16(20)8-10-17/h5-13,21H,3-4,14H2,1-2H3,(H,23,25)/b22-13-
InChIKeyPOENMACIQIUNEX-XKZIYDEJSA-N
XLogP3.86
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6034971
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5414254
N-[[4-(diethylamino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2353577
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 6910799
N-[[4-(diethylamino)phenyl]methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 1181956
2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 5089742
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
CID 163329045
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54599008

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide (CID 6107639) is 2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide is CCN(CC)c1ccc(/C=N\NC(=O)CNc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide?
The InChIKey is POENMACIQIUNEX-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H23BrN4O/c1-3-24(4-2)18-11-5-15(6-12-18)13-22-23-19(25)14-21-17-9-7-16(20)8-10-17/h5-13,21H,3-4,14H2,1-2H3,(H,23,25)/b22-13-.
What are the key properties of 2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide?
2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide has a molecular weight of 403.32 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 6107639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).