6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide

C17H20BrNO2 — CID 115283107

IUPAC6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide
SMILESCCN(C(=O)c1ccc2cc(Br)ccc2c1)C(C)COC
InChIInChI=1S/C17H20BrNO2/c1-4-19(12(2)11-21-3)17(20)15-6-5-14-10-16(18)8-7-13(14)9-15/h5-10,12H,4,11H2,1-3H3
InChIKeyNMJOACNGIUUSGF-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.10
Rot. Bonds5

About 6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide

6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide (PubChem CID 115283107) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide
PubChem CID115283107
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide
SMILESCCN(C(=O)c1ccc2cc(Br)ccc2c1)C(C)COC
InChIInChI=1S/C17H20BrNO2/c1-4-19(12(2)11-21-3)17(20)15-6-5-14-10-16(18)8-7-13(14)9-15/h5-10,12H,4,11H2,1-3H3
InChIKeyNMJOACNGIUUSGF-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103908083
3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103841773
N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 55008658
6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 115283349
4-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-3-nitrobenzamide
CID 60741118
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 54942871
N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
CID 102741640
6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide
CID 115283254
3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 103841754
4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 82833134
3-[4-[ethyl(1-methoxypropan-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76912754

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide (CID 115283107) is 6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide is CCN(C(=O)c1ccc2cc(Br)ccc2c1)C(C)COC.
What is the InChIKey of 6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide?
The InChIKey is NMJOACNGIUUSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-4-19(12(2)11-21-3)17(20)15-6-5-14-10-16(18)8-7-13(14)9-15/h5-10,12H,4,11H2,1-3H3.
What are the key properties of 6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide?
6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 115283107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).