(Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide

C11H13BrN2O — CID 20850493

IUPAC(Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide
SMILESCN(C)/C=C\C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O/c1-14(2)8-7-11(15)13-10-5-3-9(12)4-6-10/h3-8H,1-2H3,(H,13,15)/b8-7-
InChIKeyTUWQIVGBRSMTFB-FPLPWBNLSA-N
MW269.14 g/mol
LogP2.46
Rot. Bonds3

About (Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide

(Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide (PubChem CID 20850493) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is (Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide
PubChem CID20850493
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name(Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide
SMILESCN(C)/C=C\C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O/c1-14(2)8-7-11(15)13-10-5-3-9(12)4-6-10/h3-8H,1-2H3,(H,13,15)/b8-7-
InChIKeyTUWQIVGBRSMTFB-FPLPWBNLSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(4-bromophenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide
CID 71511657
(E)-3-(4-bromoanilino)-N-(4-bromophenyl)but-2-enamide
CID 134835204
4-[4-(4-bromophenoxy)anilino]-4-oxobut-2-enoate
CID 7039727
(E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51333544
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
(2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide
CID 59424253
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
2-bromo-N-(4-bromophenyl)but-2-enamide
CID 54554257
(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
CID 5356642
(4-bromophenyl)urea
CID 16074
(E)-N-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]-4,4-dimethylpent-2-enamide
CID 155301792
N-(4-bromophenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 68817727

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide?
The IUPAC name of (Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide (CID 20850493) is (Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide is CN(C)/C=C\C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide?
The InChIKey is TUWQIVGBRSMTFB-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-14(2)8-7-11(15)13-10-5-3-9(12)4-6-10/h3-8H,1-2H3,(H,13,15)/b8-7-.
What are the key properties of (Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide?
(Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide has a molecular weight of 269.14 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-bromophenyl)-3-(dimethylamino)prop-2-enamide is sourced from PubChem (CID 20850493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).