2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide

C16H15BrFN3O2 — CID 146631244

IUPAC2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)Cn2ccc3cc(Br)cc(F)c32)C1
InChIInChI=1S/C16H15BrFN3O2/c1-2-15(23)21-7-12(8-21)19-14(22)9-20-4-3-10-5-11(17)6-13(18)16(10)20/h2-6,12H,1,7-9H2,(H,19,22)
InChIKeySNWBYYSCPGEINL-UHFFFAOYSA-N
MW380.22 g/mol
LogP2.06
Rot. Bonds4

About 2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide

2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide (PubChem CID 146631244) has the molecular formula C16H15BrFN3O2 and a molecular weight of 380.22 g/mol. Its IUPAC name is 2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
PubChem CID146631244
Molecular FormulaC16H15BrFN3O2
Molecular Weight380.22 g/mol
Exact Mass379.03
IUPAC Name2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)Cn2ccc3cc(Br)cc(F)c32)C1
InChIInChI=1S/C16H15BrFN3O2/c1-2-15(23)21-7-12(8-21)19-14(22)9-20-4-3-10-5-11(17)6-13(18)16(10)20/h2-6,12H,1,7-9H2,(H,19,22)
InChIKeySNWBYYSCPGEINL-UHFFFAOYSA-N
XLogP2.06
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R,S)-1-(5-bromo-1H-indol-1-yl)propan-2-amine
CID 10753358
N-(2-(5-Bromo-1H-indol-3-yl)ethyl)acetamide
CID 44281234
2-[5-bromo-3-(5-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630461
2-[5-bromo-3-(6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630683
5-bromo-1-[2-oxo-2-[(1-prop-2-enoylazetidin-3-yl)amino]ethyl]-N-(2-phenylethyl)indole-3-carboxamide
CID 146630701
N-benzyl-5-bromo-N-methyl-1-[2-oxo-2-[(1-prop-2-enoylazetidin-3-yl)amino]ethyl]indole-3-carboxamide
CID 146630731
2-(2-(6-bromo-1H-indol-1-yl)acetamido)acetic acid
CID 29131252
2-(5-bromo-3-cyano-1H-indol-1-yl)-N-(tert-butyl)acetamide
CID 972891
(E)-3-(3-bromo-4-fluorophenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide
CID 44533363
(E)-1-(5-bromoindol-1-yl)-3-phenylprop-2-en-1-one
CID 56680478
2-(5-bromoindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630653
N-benzyl-5-bromo-1-[2-oxo-2-[(1-prop-2-enoylazetidin-3-yl)amino]ethyl]indole-3-carboxamide
CID 146630732

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The IUPAC name of 2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide (CID 146631244) is 2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The canonical SMILES for 2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide is C=CC(=O)N1CC(NC(=O)Cn2ccc3cc(Br)cc(F)c32)C1.
What is the InChIKey of 2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The InChIKey is SNWBYYSCPGEINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3O2/c1-2-15(23)21-7-12(8-21)19-14(22)9-20-4-3-10-5-11(17)6-13(18)16(10)20/h2-6,12H,1,7-9H2,(H,19,22).
What are the key properties of 2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide has a molecular weight of 380.22 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-7-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide is sourced from PubChem (CID 146631244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).