N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide

C15H18BrNO — CID 81004246

IUPACN-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1C2CCCC21
InChIInChI=1S/C15H18BrNO/c1-2-9-8-10(16)6-7-13(9)17-15(18)14-11-4-3-5-12(11)14/h6-8,11-12,14H,2-5H2,1H3,(H,17,18)
InChIKeyDTDHXSFGCLMUCC-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.00
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 81004246) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID81004246
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1C2CCCC21
InChIInChI=1S/C15H18BrNO/c1-2-9-8-10(16)6-7-13(9)17-15(18)14-11-4-3-5-12(11)14/h6-8,11-12,14H,2-5H2,1H3,(H,17,18)
InChIKeyDTDHXSFGCLMUCC-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-bromo-2-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81288944
N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79139023
N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
CID 81003495
(2R,5S)-5-[(4-bromo-2-ethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945483
N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703922
N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide
CID 106740388
N-(4-bromo-2-carbamothioylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 82704193
1-(4-bromo-2-ethylphenyl)-3-cyclopentylthiourea
CID 19687737
N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 81291659
N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609306
1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea
CID 19687726
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 81004246) is N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide is CCc1cc(Br)ccc1NC(=O)C1C2CCCC21.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is DTDHXSFGCLMUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-2-9-8-10(16)6-7-13(9)17-15(18)14-11-4-3-5-12(11)14/h6-8,11-12,14H,2-5H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 308.22 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 81004246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).