N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide

C14H16BrNO — CID 82756821

IUPACN-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1ccc(Br)c(NC(=O)C2CC3CC3C2)c1
InChIInChI=1S/C14H16BrNO/c1-8-2-3-12(15)13(4-8)16-14(17)11-6-9-5-10(9)7-11/h2-4,9-11H,5-7H2,1H3,(H,16,17)
InChIKeyJRAMREBNJYCITQ-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.74
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 82756821) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID82756821
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC NameN-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1ccc(Br)c(NC(=O)C2CC3CC3C2)c1
InChIInChI=1S/C14H16BrNO/c1-8-2-3-12(15)13(4-8)16-14(17)11-6-9-5-10(9)7-11/h2-4,9-11H,5-7H2,1H3,(H,16,17)
InChIKeyJRAMREBNJYCITQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(bicyclo[3.1.0]hexane-3-carbonylamino)-4-bromobenzoic acid
CID 114003825
(2-bromo-5-methylphenyl)urea
CID 82707313
tert-butyl 4-[(2-bromo-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 166607251
3-(2-bromo-5-methylanilino)-3-oxopropanoic acid
CID 82758877
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82756721
N-(2-bromo-5-methylphenyl)morpholine-3-carboxamide
CID 82757225
3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550238
2-N-(2-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141632
N-(2-bromo-5-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 103430310
1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine
CID 82758985

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 82756821) is N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide is Cc1ccc(Br)c(NC(=O)C2CC3CC3C2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is JRAMREBNJYCITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-8-2-3-12(15)13(4-8)16-14(17)11-6-9-5-10(9)7-11/h2-4,9-11H,5-7H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 294.19 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 82756821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).