6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide

C16H16BrNO — CID 115749091

IUPAC6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide
SMILESCN(C(=O)c1ccc2cc(Br)ccc2c1)C1CCC1
InChIInChI=1S/C16H16BrNO/c1-18(15-3-2-4-15)16(19)13-6-5-12-10-14(17)8-7-11(12)9-13/h5-10,15H,2-4H2,1H3
InChIKeyJHNCSLIFURSSHJ-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.23
Rot. Bonds2

About 6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide

6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide (PubChem CID 115749091) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide
PubChem CID115749091
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide
SMILESCN(C(=O)c1ccc2cc(Br)ccc2c1)C1CCC1
InChIInChI=1S/C16H16BrNO/c1-18(15-3-2-4-15)16(19)13-6-5-12-10-14(17)8-7-11(12)9-13/h5-10,15H,2-4H2,1H3
InChIKeyJHNCSLIFURSSHJ-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43213208
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CID 19166286
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CID 104974446
6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide
CID 113292794
3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
CID 103737051
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
4-bromo-N-(4-hydroxy-4-methylcyclohexyl)-N-methylbenzamide
CID 155777509
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
N-(azepan-4-yl)-4-bromo-N,2-dimethylbenzamide
CID 104974736
N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107020889

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide (CID 115749091) is 6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide is CN(C(=O)c1ccc2cc(Br)ccc2c1)C1CCC1.
What is the InChIKey of 6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide?
The InChIKey is JHNCSLIFURSSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-18(15-3-2-4-15)16(19)13-6-5-12-10-14(17)8-7-11(12)9-13/h5-10,15H,2-4H2,1H3.
What are the key properties of 6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide?
6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide has a molecular weight of 318.21 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 115749091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).