5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C22H30BrNO — CID 122691879

IUPAC5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC1CC2CCC(NC(=O)C3CCCc4c(Br)cccc43)C(C1)C2
InChIInChI=1S/C22H30BrNO/c1-2-14-11-15-9-10-21(16(12-14)13-15)24-22(25)19-7-3-6-18-17(19)5-4-8-20(18)23/h4-5,8,14-16,19,21H,2-3,6-7,9-13H2,1H3,(H,24,25)
InChIKeyGFUYJEYUPCQQAS-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.59
Rot. Bonds3

About 5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 122691879) has the molecular formula C22H30BrNO and a molecular weight of 404.39 g/mol. Its IUPAC name is 5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID122691879
Molecular FormulaC22H30BrNO
Molecular Weight404.39 g/mol
Exact Mass403.15
IUPAC Name5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC1CC2CCC(NC(=O)C3CCCc4c(Br)cccc43)C(C1)C2
InChIInChI=1S/C22H30BrNO/c1-2-14-11-15-9-10-21(16(12-14)13-15)24-22(25)19-7-3-6-18-17(19)5-4-8-20(18)23/h4-5,8,14-16,19,21H,2-3,6-7,9-13H2,1H3,(H,24,25)
InChIKeyGFUYJEYUPCQQAS-UHFFFAOYSA-N
XLogP5.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide with MolForge

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Related Compounds

N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 122691815
2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide
CID 163412022
(E)-3-[3-[1-[(7-ethyl-2-bicyclo[3.3.1]nonanyl)amino]-2-methyl-1-oxopropan-2-yl]phenyl]prop-2-enoic acid
CID 122691789
4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309885
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide
CID 119773520
2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate
CID 175151033
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119317722
5-methyl-N-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 166842526
(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 99808270
N-[(2S)-1-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 94728342
N-(2-hydroxycyclohexyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62361076

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 122691879) is 5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCC1CC2CCC(NC(=O)C3CCCc4c(Br)cccc43)C(C1)C2.
What is the InChIKey of 5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is GFUYJEYUPCQQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30BrNO/c1-2-14-11-15-9-10-21(16(12-14)13-15)24-22(25)19-7-3-6-18-17(19)5-4-8-20(18)23/h4-5,8,14-16,19,21H,2-3,6-7,9-13H2,1H3,(H,24,25).
What are the key properties of 5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 122691879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).