4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide

C16H22BrNO2 — CID 95149227

IUPAC4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide
SMILESCC[C@@H](C)NC(=O)C1(c2ccc(Br)cc2)CCOCC1
InChIInChI=1S/C16H22BrNO2/c1-3-12(2)18-15(19)16(8-10-20-11-9-16)13-4-6-14(17)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyJYXOPXNPSRZQER-GFCCVEGCSA-N
MW340.26 g/mol
LogP3.41
Rot. Bonds4

About 4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide

4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide (PubChem CID 95149227) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide
PubChem CID95149227
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide
SMILESCC[C@@H](C)NC(=O)C1(c2ccc(Br)cc2)CCOCC1
InChIInChI=1S/C16H22BrNO2/c1-3-12(2)18-15(19)16(8-10-20-11-9-16)13-4-6-14(17)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyJYXOPXNPSRZQER-GFCCVEGCSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 47901796
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide
CID 46978027
1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide
CID 52843334
4-(4-bromophenyl)-N-(oxan-4-yl)oxane-4-carboxamide
CID 169449681
1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide
CID 95086493
1-[[4-(4-bromophenyl)oxan-4-yl]methyl]-3-butan-2-yl-2-methylguanidine
CID 110945306
(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 119243849
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide
CID 122144052
N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110461

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide (CID 95149227) is 4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide is CC[C@@H](C)NC(=O)C1(c2ccc(Br)cc2)CCOCC1.
What is the InChIKey of 4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide?
The InChIKey is JYXOPXNPSRZQER-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-3-12(2)18-15(19)16(8-10-20-11-9-16)13-4-6-14(17)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide?
4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide has a molecular weight of 340.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 95149227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).