1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide

C13H16BrNO2 — CID 78845434

IUPAC1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
SMILESO=C(NCCO)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H16BrNO2/c14-11-4-2-10(3-5-11)13(6-1-7-13)12(17)15-8-9-16/h2-5,16H,1,6-9H2,(H,15,17)
InChIKeyYXQAOIYAOWERLC-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.98
Rot. Bonds4

About 1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide

1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide (PubChem CID 78845434) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
PubChem CID78845434
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
SMILESO=C(NCCO)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H16BrNO2/c14-11-4-2-10(3-5-11)13(6-1-7-13)12(17)15-8-9-16/h2-5,16H,1,6-9H2,(H,15,17)
InChIKeyYXQAOIYAOWERLC-UHFFFAOYSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide
CID 103767285
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 110902757
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333
1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119558146
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide
CID 56692662
1-(4-bromophenyl)-N-[2-(2-nitroanilino)ethyl]cyclobutane-1-carboxamide
CID 33437651
1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
CID 64865921
(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 119243849
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119513259

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide (CID 78845434) is 1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide is O=C(NCCO)C1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The InChIKey is YXQAOIYAOWERLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-11-4-2-10(3-5-11)13(6-1-7-13)12(17)15-8-9-16/h2-5,16H,1,6-9H2,(H,15,17).
What are the key properties of 1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78845434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).