6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide

C14H13BrClNO — CID 113292794

IUPAC6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide
SMILESCN(CCCl)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrClNO/c1-17(7-6-16)14(18)12-3-2-11-9-13(15)5-4-10(11)8-12/h2-5,8-9H,6-7H2,1H3
InChIKeyQSVRAKGPZCDDIM-UHFFFAOYSA-N
MW326.62 g/mol
LogP3.91
Rot. Bonds3

About 6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide

6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide (PubChem CID 113292794) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide
PubChem CID113292794
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide
SMILESCN(CCCl)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrClNO/c1-17(7-6-16)14(18)12-3-2-11-9-13(15)5-4-10(11)8-12/h2-5,8-9H,6-7H2,1H3
InChIKeyQSVRAKGPZCDDIM-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 53.91
H-Bond Donors ≤ 50
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-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide
CID 107199939
6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115353690
3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide
CID 107993565
6-bromo-N-[(3-bromocyclobutyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 115354532
6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide
CID 115749091
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide
CID 63391568
6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 115283349
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one
CID 14452955
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
CID 107205681

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide (CID 113292794) is 6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide is CN(CCCl)C(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide?
The InChIKey is QSVRAKGPZCDDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-17(7-6-16)14(18)12-3-2-11-9-13(15)5-4-10(11)8-12/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide?
6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide has a molecular weight of 326.62 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 113292794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).