(2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate

C20H24FNO2 — CID 73351939

IUPAC(2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate
SMILESO=C(NCCCCCCc1ccccc1)OCc1ccccc1F
InChIInChI=1S/C20H24FNO2/c21-19-14-8-7-13-18(19)16-24-20(23)22-15-9-2-1-4-10-17-11-5-3-6-12-17/h3,5-8,11-14H,1-2,4,9-10,15-16H2,(H,22,23)
InChIKeyWQFNTNZUECBLPM-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.86
Rot. Bonds9

About (2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate

(2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate (PubChem CID 73351939) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is (2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate
PubChem CID73351939
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name(2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate
SMILESO=C(NCCCCCCc1ccccc1)OCc1ccccc1F
InChIInChI=1S/C20H24FNO2/c21-19-14-8-7-13-18(19)16-24-20(23)22-15-9-2-1-4-10-17-11-5-3-6-12-17/h3,5-8,11-14H,1-2,4,9-10,15-16H2,(H,22,23)
InChIKeyWQFNTNZUECBLPM-UHFFFAOYSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Benzyl benzylcarbamate
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Carbamic acid, N-(1-benzyl-2-hydroxyethyl)-, benzyl ester
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(2-(2-Benzyloxycarbonylamino-ethoxy)-ethyl)-carbamic acid benzyl ester
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(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
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benzyl N-(3-aminopropyl)carbamate hydrochloride
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N-Carbobenzoxy-1,6-diaminohexane Hydrochloride
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benzyl N-(prop-2-en-1-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate?
The IUPAC name of (2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate (CID 73351939) is (2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate.
What is the SMILES notation for (2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate?
The canonical SMILES for (2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate is O=C(NCCCCCCc1ccccc1)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate?
The InChIKey is WQFNTNZUECBLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-19-14-8-7-13-18(19)16-24-20(23)22-15-9-2-1-4-10-17-11-5-3-6-12-17/h3,5-8,11-14H,1-2,4,9-10,15-16H2,(H,22,23).
What are the key properties of (2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate?
(2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate has a molecular weight of 329.42 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate is sourced from PubChem (CID 73351939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).