N-(4-bromobutyl)-9H-fluorene-1-carboxamide

C18H18BrNO — CID 121318737

IUPACN-(4-bromobutyl)-9H-fluorene-1-carboxamide
SMILESO=C(NCCCCBr)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H18BrNO/c19-10-3-4-11-20-18(21)16-9-5-8-15-14-7-2-1-6-13(14)12-17(15)16/h1-2,5-9H,3-4,10-12H2,(H,20,21)
InChIKeyCUARJADPRTXNQU-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.16
Rot. Bonds5

About N-(4-bromobutyl)-9H-fluorene-1-carboxamide

N-(4-bromobutyl)-9H-fluorene-1-carboxamide (PubChem CID 121318737) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is N-(4-bromobutyl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromobutyl)-9H-fluorene-1-carboxamide
PubChem CID121318737
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC NameN-(4-bromobutyl)-9H-fluorene-1-carboxamide
SMILESO=C(NCCCCBr)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H18BrNO/c19-10-3-4-11-20-18(21)16-9-5-8-15-14-7-2-1-6-13(14)12-17(15)16/h1-2,5-9H,3-4,10-12H2,(H,20,21)
InChIKeyCUARJADPRTXNQU-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid
CID 70613807
N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide
CID 140983294
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
N-(6-bromohexyl)-2-iodobenzamide
CID 107847400
N-(5-bromopentyl)-2,3-dichlorobenzamide
CID 107321695
N-(4-bromobutyl)-2-tert-butylbenzamide
CID 106846012
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
N-(5-bromopentyl)-2-tert-butylbenzamide
CID 107321897
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
benzyl 9H-fluorene-1-carboxylate
CID 148546959
1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)-9H-fluorene-1-carboxamide?
The IUPAC name of N-(4-bromobutyl)-9H-fluorene-1-carboxamide (CID 121318737) is N-(4-bromobutyl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for N-(4-bromobutyl)-9H-fluorene-1-carboxamide?
The canonical SMILES for N-(4-bromobutyl)-9H-fluorene-1-carboxamide is O=C(NCCCCBr)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of N-(4-bromobutyl)-9H-fluorene-1-carboxamide?
The InChIKey is CUARJADPRTXNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c19-10-3-4-11-20-18(21)16-9-5-8-15-14-7-2-1-6-13(14)12-17(15)16/h1-2,5-9H,3-4,10-12H2,(H,20,21).
What are the key properties of N-(4-bromobutyl)-9H-fluorene-1-carboxamide?
N-(4-bromobutyl)-9H-fluorene-1-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 121318737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).