(Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide

C10H12BrN3O — CID 166876939

IUPAC(Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide
SMILESCNc1cc(Br)ccc1N/C=C\C(N)=O
InChIInChI=1S/C10H12BrN3O/c1-13-9-6-7(11)2-3-8(9)14-5-4-10(12)15/h2-6,13-14H,1H3,(H2,12,15)/b5-4-
InChIKeyNURBBWCQVZJJGU-PLNGDYQASA-N
MW270.13 g/mol
LogP1.90
Rot. Bonds4

About (Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide

(Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide (PubChem CID 166876939) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is (Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide
PubChem CID166876939
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name(Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide
SMILESCNc1cc(Br)ccc1N/C=C\C(N)=O
InChIInChI=1S/C10H12BrN3O/c1-13-9-6-7(11)2-3-8(9)14-5-4-10(12)15/h2-6,13-14H,1H3,(H2,12,15)/b5-4-
InChIKeyNURBBWCQVZJJGU-PLNGDYQASA-N
XLogP1.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide 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

4-bromo-2-(methylamino)benzoic acid
CID 13384102
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837
(E)-3-(4-bromo-2-cyanoanilino)prop-2-enoic acid
CID 103261886
5-bromo-N-formyl-2-(methylamino)benzamide
CID 156568788
N-[5-bromo-2-(methylamino)phenyl]benzamide
CID 175288167
(E)-3-(4-bromo-2-fluoroanilino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 51045921
(Z)-2-[5-bromo-2-(methylamino)phenyl]but-2-enal;ethane
CID 143263053
3-(4-bromo-2-fluoroanilino)-1-(4-ethylphenyl)prop-2-en-1-one
CID 4012700
3-(4-bromo-2-chloroanilino)-1-(5-methylfuran-2-yl)prop-2-en-1-one
CID 891695
2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde
CID 177054962
methyl (Z)-3-(4-bromoanilino)prop-2-enoate
CID 72735694
(E)-3-(2-amino-5-bromophenyl)prop-2-enamide
CID 129410638

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide?
The IUPAC name of (Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide (CID 166876939) is (Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide.
What is the SMILES notation for (Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide?
The canonical SMILES for (Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide is CNc1cc(Br)ccc1N/C=C\C(N)=O.
What is the InChIKey of (Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide?
The InChIKey is NURBBWCQVZJJGU-PLNGDYQASA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-13-9-6-7(11)2-3-8(9)14-5-4-10(12)15/h2-6,13-14H,1H3,(H2,12,15)/b5-4-.
What are the key properties of (Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide?
(Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide has a molecular weight of 270.13 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-bromo-2-(methylamino)anilino]prop-2-enamide is sourced from PubChem (CID 166876939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).