N-(5-bromo-2-chlorophenyl)but-2-enamide

C10H9BrClNO — CID 76977308

IUPACN-(5-bromo-2-chlorophenyl)but-2-enamide
SMILESCC=CC(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H9BrClNO/c1-2-3-10(14)13-9-6-7(11)4-5-8(9)12/h2-6H,1H3,(H,13,14)
InChIKeyJWPJUDJLJSKKLM-UHFFFAOYSA-N
MW274.55 g/mol
LogP3.62
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)but-2-enamide

N-(5-bromo-2-chlorophenyl)but-2-enamide (PubChem CID 76977308) has the molecular formula C10H9BrClNO and a molecular weight of 274.55 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)but-2-enamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)but-2-enamide
PubChem CID76977308
Molecular FormulaC10H9BrClNO
Molecular Weight274.55 g/mol
Exact Mass272.96
IUPAC NameN-(5-bromo-2-chlorophenyl)but-2-enamide
SMILESCC=CC(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H9BrClNO/c1-2-3-10(14)13-9-6-7(11)4-5-8(9)12/h2-6H,1H3,(H,13,14)
InChIKeyJWPJUDJLJSKKLM-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-bromo-2-methylphenyl)but-2-enamide
CID 43806497
3-(but-2-enoylamino)-4-chloro-N,N-dimethylbenzamide
CID 112727335
(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide
CID 81027410
(E)-N-(4-bromo-2-cyanophenyl)but-2-enamide
CID 82708502
N-(2-chloro-4-hydroxyphenyl)but-2-enamide
CID 77042642
1-(5-bromo-2-chlorophenyl)-3-ethylurea
CID 60981700
4-(but-2-enoylamino)-3-chlorobenzoic acid
CID 77034162
4-chloro-3-[[(2E,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 24707804
5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 79990693
N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62998518
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
CID 62908403

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)but-2-enamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)but-2-enamide (CID 76977308) is N-(5-bromo-2-chlorophenyl)but-2-enamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)but-2-enamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)but-2-enamide is CC=CC(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)but-2-enamide?
The InChIKey is JWPJUDJLJSKKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO/c1-2-3-10(14)13-9-6-7(11)4-5-8(9)12/h2-6H,1H3,(H,13,14).
What are the key properties of N-(5-bromo-2-chlorophenyl)but-2-enamide?
N-(5-bromo-2-chlorophenyl)but-2-enamide has a molecular weight of 274.55 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)but-2-enamide is sourced from PubChem (CID 76977308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).