1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide

C16H22BrNO2 — CID 52843334

IUPAC1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide
SMILESCOCC[C@@H](C)NC(=O)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C16H22BrNO2/c1-12(8-11-20-2)18-15(19)16(9-3-10-16)13-4-6-14(17)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyZIFNWLZFYJXEET-GFCCVEGCSA-N
MW340.26 g/mol
LogP3.41
Rot. Bonds6

About 1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide

1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide (PubChem CID 52843334) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide
PubChem CID52843334
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide
SMILESCOCC[C@@H](C)NC(=O)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C16H22BrNO2/c1-12(8-11-20-2)18-15(19)16(9-3-10-16)13-4-6-14(17)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyZIFNWLZFYJXEET-GFCCVEGCSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 134057156
(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 119243849
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602
1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 47901796
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide
CID 95149227
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 78845434
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 110887443

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide (CID 52843334) is 1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide is COCC[C@@H](C)NC(=O)C1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide?
The InChIKey is ZIFNWLZFYJXEET-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-12(8-11-20-2)18-15(19)16(9-3-10-16)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 1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide?
1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide has a molecular weight of 340.26 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 52843334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).