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

C14H18BrNO2 — CID 78855875

IUPAC1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
SMILESCC(O)CNC(=O)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C14H18BrNO2/c1-10(17)9-16-13(18)14(7-2-8-14)11-3-5-12(15)6-4-11/h3-6,10,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyLLGLNIAANOSZIN-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.37
Rot. Bonds4

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

1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide (PubChem CID 78855875) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
PubChem CID78855875
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
SMILESCC(O)CNC(=O)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C14H18BrNO2/c1-10(17)9-16-13(18)14(7-2-8-14)11-3-5-12(15)6-4-11/h3-6,10,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyLLGLNIAANOSZIN-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 46384158
1-(4-bromophenyl)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
CID 112823540
1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 78855924
1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 78845434
(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 119243849
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide
CID 52843334
2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid
CID 65218799

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide (CID 78855875) is 1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide is CC(O)CNC(=O)C1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide?
The InChIKey is LLGLNIAANOSZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10(17)9-16-13(18)14(7-2-8-14)11-3-5-12(15)6-4-11/h3-6,10,17H,2,7-9H2,1H3,(H,16,18).
What are the key properties of 1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide?
1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.37, 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-hydroxypropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78855875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).