N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C18H26BrNO — CID 107127696

IUPACN-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCC(CC)N(CCBr)C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C18H26BrNO/c1-3-17(4-2)20(12-11-19)18(21)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyOATIHPVFUUNQFT-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.20
Rot. Bonds6

About N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127696) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127696
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC NameN-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCC(CC)N(CCBr)C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C18H26BrNO/c1-3-17(4-2)20(12-11-19)18(21)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyOATIHPVFUUNQFT-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-cyclobutyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127798
N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126000
N-(2-bromoethyl)-N-pentan-3-yl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 80671289
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107493235
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127553
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127677
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126715
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
(4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65408200
N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127772
N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 106894177

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127696) is N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CCC(CC)N(CCBr)C(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is OATIHPVFUUNQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-3-17(4-2)20(12-11-19)18(21)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,16-17H,3-4,9-13H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).