6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide

C17H17BrN2O — CID 115283254

IUPAC6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H17BrN2O/c1-3-20(11-12(2)10-19)17(21)15-5-4-14-9-16(18)7-6-13(14)8-15/h4-9,12H,3,11H2,1-2H3
InChIKeyZKCKLNLRHSAEMZ-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.22
Rot. Bonds4

About 6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide

6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide (PubChem CID 115283254) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide
PubChem CID115283254
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H17BrN2O/c1-3-20(11-12(2)10-19)17(21)15-5-4-14-9-16(18)7-6-13(14)8-15/h4-9,12H,3,11H2,1-2H3
InChIKeyZKCKLNLRHSAEMZ-UHFFFAOYSA-N
XLogP4.22
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 103841866
N-(2-cyanopropyl)-N-ethyl-3,4-dihydroxybenzamide
CID 113358258
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methylbenzamide
CID 54906117
N-[(2S)-2-cyanopropyl]-N-ethyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 94649673
3-amino-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54906116
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide
CID 63213768
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide
CID 104782607
3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide
CID 60555353
N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide
CID 62248085
N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide
CID 94810071
N-(2-cyanopropyl)-N-ethyl-4-fluoro-3-nitrobenzamide
CID 61051908

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide (CID 115283254) is 6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide is CCN(CC(C)C#N)C(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide?
The InChIKey is ZKCKLNLRHSAEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-3-20(11-12(2)10-19)17(21)15-5-4-14-9-16(18)7-6-13(14)8-15/h4-9,12H,3,11H2,1-2H3.
What are the key properties of 6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide?
6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide has a molecular weight of 345.24 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide is sourced from PubChem (CID 115283254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).