2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide

C11H11BrF2N2O — CID 102853712

IUPAC2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide
SMILESC=CCC(N)C(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H11BrF2N2O/c1-2-3-9(15)11(17)16-10-4-6(12)7(13)5-8(10)14/h2,4-5,9H,1,3,15H2,(H,16,17)
InChIKeyYHQFGFADLWNSNT-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.57
Rot. Bonds4

About 2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide

2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide (PubChem CID 102853712) has the molecular formula C11H11BrF2N2O and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide
PubChem CID102853712
Molecular FormulaC11H11BrF2N2O
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide
SMILESC=CCC(N)C(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H11BrF2N2O/c1-2-3-9(15)11(17)16-10-4-6(12)7(13)5-8(10)14/h2,4-5,9H,1,3,15H2,(H,16,17)
InChIKeyYHQFGFADLWNSNT-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-bromo-4-fluorophenyl)pent-4-enamide
CID 104778206
(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide
CID 107611709
2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide
CID 103193279
2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide
CID 103268919
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
CID 102853254
2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one
CID 116606900
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid
CID 102854417
2-amino-N-(5-bromo-2-fluorophenyl)butanamide
CID 43649633
2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide
CID 107611587
2-acetamido-N-(5-bromo-2,4-difluorophenyl)-3-sulfanylpropanamide
CID 107769972
2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide
CID 107625274

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide?
The IUPAC name of 2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide (CID 102853712) is 2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide?
The canonical SMILES for 2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide is C=CCC(N)C(=O)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of 2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide?
The InChIKey is YHQFGFADLWNSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O/c1-2-3-9(15)11(17)16-10-4-6(12)7(13)5-8(10)14/h2,4-5,9H,1,3,15H2,(H,16,17).
What are the key properties of 2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide?
2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide has a molecular weight of 305.12 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide is sourced from PubChem (CID 102853712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).