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

C15H20BrNO — CID 114307725

IUPACN-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC(CBr)NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H20BrNO/c1-2-12(10-16)17-15(18)14-9-5-7-11-6-3-4-8-13(11)14/h3-4,6,8,12,14H,2,5,7,9-10H2,1H3,(H,17,18)
InChIKeyXPISKFMNTHDELX-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.40
Rot. Bonds4

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

N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 114307725) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID114307725
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC NameN-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC(CBr)NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H20BrNO/c1-2-12(10-16)17-15(18)14-9-5-7-11-6-3-4-8-13(11)14/h3-4,6,8,12,14H,2,5,7,9-10H2,1H3,(H,17,18)
InChIKeyXPISKFMNTHDELX-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 114307725) is N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCC(CBr)NC(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is XPISKFMNTHDELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-2-12(10-16)17-15(18)14-9-5-7-11-6-3-4-8-13(11)14/h3-4,6,8,12,14H,2,5,7,9-10H2,1H3,(H,17,18).
What are the key properties of N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 310.24 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 114307725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).