1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone

C11H11BrFNO — CID 116589827

IUPAC1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H11BrFNO/c1-2-5-14-7-11(15)9-6-8(12)3-4-10(9)13/h2-4,6,14H,1,5,7H2
InChIKeySWXYSLPYGJYMSD-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.55
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone

1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone (PubChem CID 116589827) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone
PubChem CID116589827
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H11BrFNO/c1-2-5-14-7-11(15)9-6-8(12)3-4-10(9)13/h2-4,6,14H,1,5,7H2
InChIKeySWXYSLPYGJYMSD-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone
CID 116589743
1-(5-bromo-2-fluorophenyl)prop-2-en-1-one
CID 83643848
1-(3-bromo-4-fluorophenyl)-3-(prop-2-enylamino)propan-2-one
CID 116589776
1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone
CID 15982679
1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone
CID 107129792
2-fluoro-5-[[2-(prop-2-enylamino)acetyl]amino]benzoic acid
CID 79285678
4-amino-1-(5-bromo-2-fluorophenyl)butan-1-one
CID 116553327
1-(5-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 79953274
1-(2-methylphenyl)-2-(prop-2-enylamino)ethanone
CID 116589872
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)ethanone
CID 107291064
N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908308
N-(4-bromo-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79279349

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone (CID 116589827) is 1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone?
The InChIKey is SWXYSLPYGJYMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c1-2-5-14-7-11(15)9-6-8(12)3-4-10(9)13/h2-4,6,14H,1,5,7H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone?
1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone has a molecular weight of 272.12 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 116589827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).