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

C18H20BrNO — CID 115353943

IUPAC6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H20BrNO/c19-17-9-8-14-10-16(7-6-15(14)11-17)18(21)20-12-13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H,20,21)
InChIKeyXYJVKQJWXHFMQN-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.91
Rot. Bonds3

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

6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide (PubChem CID 115353943) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
PubChem CID115353943
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H20BrNO/c19-17-9-8-14-10-16(7-6-15(14)11-17)18(21)20-12-13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H,20,21)
InChIKeyXYJVKQJWXHFMQN-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-N-(thian-4-ylmethyl)naphthalene-2-carboxamide
CID 115749078
6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 115283344
6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 115354542
3-amino-4-bromo-N-(cyclopentylmethyl)benzamide
CID 61095376
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
CID 47435885
N-(cyclopentylmethyl)-4-sulfanylbenzamide
CID 107022611
N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113221304

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide (CID 115353943) is 6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide is O=C(NCC1CCCCC1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide?
The InChIKey is XYJVKQJWXHFMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-17-9-8-14-10-16(7-6-15(14)11-17)18(21)20-12-13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H,20,21).
What are the key properties of 6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide?
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide has a molecular weight of 346.27 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 115353943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).