3-bromo-N-(9H-fluoren-4-yl)propanamide

C16H14BrNO — CID 90120399

IUPAC3-bromo-N-(9H-fluoren-4-yl)propanamide
SMILESO=C(CCBr)Nc1cccc2c1-c1ccccc1C2
InChIInChI=1S/C16H14BrNO/c17-9-8-15(19)18-14-7-3-5-12-10-11-4-1-2-6-13(11)16(12)14/h1-7H,8-10H2,(H,18,19)
InChIKeyFVIHYAZTPBVJLP-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.98
Rot. Bonds3

About 3-bromo-N-(9H-fluoren-4-yl)propanamide

3-bromo-N-(9H-fluoren-4-yl)propanamide (PubChem CID 90120399) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 3-bromo-N-(9H-fluoren-4-yl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(9H-fluoren-4-yl)propanamide
PubChem CID90120399
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name3-bromo-N-(9H-fluoren-4-yl)propanamide
SMILESO=C(CCBr)Nc1cccc2c1-c1ccccc1C2
InChIInChI=1S/C16H14BrNO/c17-9-8-15(19)18-14-7-3-5-12-10-11-4-1-2-6-13(11)16(12)14/h1-7H,8-10H2,(H,18,19)
InChIKeyFVIHYAZTPBVJLP-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-bromo-N-(3-oxo-1,2-benzothiazol-4-yl)propanamide
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N,N'-bis(2-bromophenyl)butanediamide
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N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide
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3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
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3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
CID 102155791

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(9H-fluoren-4-yl)propanamide?
The IUPAC name of 3-bromo-N-(9H-fluoren-4-yl)propanamide (CID 90120399) is 3-bromo-N-(9H-fluoren-4-yl)propanamide.
What is the SMILES notation for 3-bromo-N-(9H-fluoren-4-yl)propanamide?
The canonical SMILES for 3-bromo-N-(9H-fluoren-4-yl)propanamide is O=C(CCBr)Nc1cccc2c1-c1ccccc1C2.
What is the InChIKey of 3-bromo-N-(9H-fluoren-4-yl)propanamide?
The InChIKey is FVIHYAZTPBVJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c17-9-8-15(19)18-14-7-3-5-12-10-11-4-1-2-6-13(11)16(12)14/h1-7H,8-10H2,(H,18,19).
What are the key properties of 3-bromo-N-(9H-fluoren-4-yl)propanamide?
3-bromo-N-(9H-fluoren-4-yl)propanamide has a molecular weight of 316.20 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(9H-fluoren-4-yl)propanamide is sourced from PubChem (CID 90120399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).