1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide

C13H16BrNO — CID 166079994

IUPAC1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide
SMILESCC1(C)CC(C(N)=O)(c2cccc(Br)c2)C1
InChIInChI=1S/C13H16BrNO/c1-12(2)7-13(8-12,11(15)16)9-4-3-5-10(14)6-9/h3-6H,7-8H2,1-2H3,(H2,15,16)
InChIKeyDRSYNVPOPUWTOM-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.99
Rot. Bonds2

About 1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide

1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide (PubChem CID 166079994) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide
PubChem CID166079994
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide
SMILESCC1(C)CC(C(N)=O)(c2cccc(Br)c2)C1
InChIInChI=1S/C13H16BrNO/c1-12(2)7-13(8-12,11(15)16)9-4-3-5-10(14)6-9/h3-6H,7-8H2,1-2H3,(H2,15,16)
InChIKeyDRSYNVPOPUWTOM-UHFFFAOYSA-N
XLogP2.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-bromophenyl)piperidine-4-carboxamide
CID 82307410
methyl 1-(3-bromophenyl)-3-hydroxy-3-methylcyclobutane-1-carboxylate
CID 158225865
ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate
CID 66765078
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 58563114
1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide
CID 155749454
1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 76831250
ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide
CID 142514919
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 134034309
1-[1-(3-bromophenyl)-3-methylcyclobutanecarbonyl]-1-(methylamino)thiourea
CID 171781426

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide (CID 166079994) is 1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide is CC1(C)CC(C(N)=O)(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is DRSYNVPOPUWTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-12(2)7-13(8-12,11(15)16)9-4-3-5-10(14)6-9/h3-6H,7-8H2,1-2H3,(H2,15,16).
What are the key properties of 1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide?
1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 282.18 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 166079994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).