N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide

C14H18BrNO2 — CID 81003495

IUPACN-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1CCOCC1
InChIInChI=1S/C14H18BrNO2/c1-2-10-9-12(15)3-4-13(10)16-14(17)11-5-7-18-8-6-11/h3-4,9,11H,2,5-8H2,1H3,(H,16,17)
InChIKeyFZOVJMPLTXRRFH-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.38
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide

N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide (PubChem CID 81003495) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
PubChem CID81003495
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1CCOCC1
InChIInChI=1S/C14H18BrNO2/c1-2-10-9-12(15)3-4-13(10)16-14(17)11-5-7-18-8-6-11/h3-4,9,11H,2,5-8H2,1H3,(H,16,17)
InChIKeyFZOVJMPLTXRRFH-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703922
N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide
CID 106740388
3-[(4-bromo-2-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81288944
(2R,5S)-5-[(4-bromo-2-ethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945483
N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81004246
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide
CID 81293122
N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide
CID 171064344
N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 81287725
N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
CID 47494478
(3R)-N-(4-bromo-2-ethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004583
N-[2-(aminomethyl)phenyl]oxane-4-carboxamide
CID 63754854
(3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9004445

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide (CID 81003495) is N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide is CCc1cc(Br)ccc1NC(=O)C1CCOCC1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide?
The InChIKey is FZOVJMPLTXRRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-2-10-9-12(15)3-4-13(10)16-14(17)11-5-7-18-8-6-11/h3-4,9,11H,2,5-8H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide?
N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 81003495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).