3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide

C12H14BrNO2 — CID 177227583

IUPAC3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1(O)CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H14BrNO2/c1-14-11(15)12(16)6-9(7-12)8-2-4-10(13)5-3-8/h2-5,9,16H,6-7H2,1H3,(H,14,15)
InChIKeyISRJHAWMOJSWPD-UHFFFAOYSA-N
MW284.15 g/mol
LogP1.80
Rot. Bonds2

About 3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide

3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide (PubChem CID 177227583) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
PubChem CID177227583
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1(O)CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H14BrNO2/c1-14-11(15)12(16)6-9(7-12)8-2-4-10(13)5-3-8/h2-5,9,16H,6-7H2,1H3,(H,14,15)
InChIKeyISRJHAWMOJSWPD-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane
CID 167467914
3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol
CID 58034308
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
CID 129348369
methyl (3S)-1-amino-3-(4-bromophenyl)cyclopentane-1-carboxylate
CID 69094601
ethane;methyl 4-bromobenzoate;methyl 4-cyclopropylbenzoate
CID 144872712
3-(4-bromophenyl)cyclobutan-1-one;ethane
CID 142378468
1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide
CID 166284441
[(1S,3S)-3-(4-bromophenyl)cyclopentanecarbonyl]carbamoylazanium
CID 143710334
ethyl (1S,2R,3R,5R)-3-acetyl-5-(4-bromophenyl)-1,3-dihydroxy-2-nitrocyclohexane-1-carboxylate
CID 118351403
(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide (CID 177227583) is 3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide is CNC(=O)C1(O)CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide?
The InChIKey is ISRJHAWMOJSWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-14-11(15)12(16)6-9(7-12)8-2-4-10(13)5-3-8/h2-5,9,16H,6-7H2,1H3,(H,14,15).
What are the key properties of 3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide?
3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 177227583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).