6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide

C16H15Br2NO — CID 115354131

IUPAC6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide
SMILESO=C(NC1CCCC1Br)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H15Br2NO/c17-13-7-6-10-8-12(5-4-11(10)9-13)16(20)19-15-3-1-2-14(15)18/h4-9,14-15H,1-3H2,(H,19,20)
InChIKeyOPFJWVANMHRQBP-UHFFFAOYSA-N
MW397.11 g/mol
LogP4.65
Rot. Bonds2

About 6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide

6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide (PubChem CID 115354131) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide
PubChem CID115354131
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide
SMILESO=C(NC1CCCC1Br)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H15Br2NO/c17-13-7-6-10-8-12(5-4-11(10)9-13)16(20)19-15-3-1-2-14(15)18/h4-9,14-15H,1-3H2,(H,19,20)
InChIKeyOPFJWVANMHRQBP-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide
CID 113278363
4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
CID 113275078
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
CID 113395139
4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395123
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide
CID 80661734
N-(2-bromocyclohexyl)-3-hydroxybenzamide
CID 114311869
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063
5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395138
N-(2-bromocyclohexyl)-3-fluorobenzamide
CID 114311839
N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
CID 114312028

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide (CID 115354131) is 6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide is O=C(NC1CCCC1Br)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide?
The InChIKey is OPFJWVANMHRQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c17-13-7-6-10-8-12(5-4-11(10)9-13)16(20)19-15-3-1-2-14(15)18/h4-9,14-15H,1-3H2,(H,19,20).
What are the key properties of 6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide?
6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide has a molecular weight of 397.11 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide is sourced from PubChem (CID 115354131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).