N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide

C19H21BN2O2 — CID 22485906

IUPACN-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide
SMILESCCC(=O)NB(NC(=O)CC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21BN2O2/c1-3-17(23)21-20(22-18(24)4-2)19-15-11-7-5-9-13(15)14-10-6-8-12-16(14)19/h5-12,19H,3-4H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBBJSYSICOUNQRU-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.88
Rot. Bonds5

About N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide

N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide (PubChem CID 22485906) has the molecular formula C19H21BN2O2 and a molecular weight of 320.20 g/mol. Its IUPAC name is N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide.

Molecular Properties

Compound NameN-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide
PubChem CID22485906
Molecular FormulaC19H21BN2O2
Molecular Weight320.20 g/mol
Exact Mass320.17
IUPAC NameN-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide
SMILESCCC(=O)NB(NC(=O)CC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21BN2O2/c1-3-17(23)21-20(22-18(24)4-2)19-15-11-7-5-9-13(15)14-10-6-8-12-16(14)19/h5-12,19H,3-4H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBBJSYSICOUNQRU-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methyl-9H-fluoren-9-yl)propanamide
CID 59907821
N-ethyl-9H-fluorene-9-carboxamide
CID 22891606
N-(9-formyl-9H-fluoren-2-yl)propanamide
CID 89102901
(2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid
CID 172800253
1-(9H-fluoren-9-yl)butan-1-one
CID 83046964
N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide
CID 163155161
2-(9H-fluoren-9-ylsulfinyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 131853077
3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene
CID 143317570
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
(3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one
CID 102270408
lithium 9-ethyl-9H-fluorene
CID 23225742
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106

Frequently Asked Questions

What is the IUPAC name of N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide?
The IUPAC name of N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide (CID 22485906) is N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide.
What is the SMILES notation for N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide?
The canonical SMILES for N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide is CCC(=O)NB(NC(=O)CC)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide?
The InChIKey is BBJSYSICOUNQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BN2O2/c1-3-17(23)21-20(22-18(24)4-2)19-15-11-7-5-9-13(15)14-10-6-8-12-16(14)19/h5-12,19H,3-4H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide?
N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide has a molecular weight of 320.20 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide is sourced from PubChem (CID 22485906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).