octan-3-yl N-(3-fluorophenyl)carbamate

C15H22FNO2 — CID 174482782

IUPACoctan-3-yl N-(3-fluorophenyl)carbamate
SMILESCCCCCC(CC)OC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-3-5-6-10-14(4-2)19-15(18)17-13-9-7-8-12(16)11-13/h7-9,11,14H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyZGUOPBLVVWYLMH-UHFFFAOYSA-N
MW267.34 g/mol
LogP4.73
Rot. Bonds7

About octan-3-yl N-(3-fluorophenyl)carbamate

octan-3-yl N-(3-fluorophenyl)carbamate (PubChem CID 174482782) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is octan-3-yl N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Nameoctan-3-yl N-(3-fluorophenyl)carbamate
PubChem CID174482782
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Nameoctan-3-yl N-(3-fluorophenyl)carbamate
SMILESCCCCCC(CC)OC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-3-5-6-10-14(4-2)19-15(18)17-13-9-7-8-12(16)11-13/h7-9,11,14H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyZGUOPBLVVWYLMH-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 54.73
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

octan-3-yl N-[4-(dimethylamino)phenyl]carbamate
CID 174496203
N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide
CID 60689776
tridecan-3-yl 2,4-difluorobenzoate
CID 91717391
pentadecan-3-yl 2,4-difluorobenzoate
CID 91717375
dodecan-3-yl 2,5-difluorobenzoate
CID 91717408
tetradecan-3-yl 2,4-difluorobenzoate
CID 91717394
N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
CID 2291432
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide
CID 103601437
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
1-(1-aminohexan-2-yl)-3-(3-fluorophenyl)urea
CID 80696545
2-N-(3-fluorophenyl)heptane-1,2-diamine
CID 65383612

Frequently Asked Questions

What is the IUPAC name of octan-3-yl N-(3-fluorophenyl)carbamate?
The IUPAC name of octan-3-yl N-(3-fluorophenyl)carbamate (CID 174482782) is octan-3-yl N-(3-fluorophenyl)carbamate.
What is the SMILES notation for octan-3-yl N-(3-fluorophenyl)carbamate?
The canonical SMILES for octan-3-yl N-(3-fluorophenyl)carbamate is CCCCCC(CC)OC(=O)Nc1cccc(F)c1.
What is the InChIKey of octan-3-yl N-(3-fluorophenyl)carbamate?
The InChIKey is ZGUOPBLVVWYLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-3-5-6-10-14(4-2)19-15(18)17-13-9-7-8-12(16)11-13/h7-9,11,14H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of octan-3-yl N-(3-fluorophenyl)carbamate?
octan-3-yl N-(3-fluorophenyl)carbamate has a molecular weight of 267.34 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octan-3-yl N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 174482782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).