6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide

C17H19BrClNO — CID 115354549

IUPAC6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
SMILESCCC(CCCl)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H19BrClNO/c1-2-12(7-8-19)11-20-17(21)15-4-3-14-10-16(18)6-5-13(14)9-15/h3-6,9-10,12H,2,7-8,11H2,1H3,(H,20,21)
InChIKeyLIBPEEYGKNFMOE-UHFFFAOYSA-N
MW368.70 g/mol
LogP4.99
Rot. Bonds6

About 6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide

6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide (PubChem CID 115354549) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
PubChem CID115354549
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
SMILESCCC(CCCl)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H19BrClNO/c1-2-12(7-8-19)11-20-17(21)15-4-3-14-10-16(18)6-5-13(14)9-15/h3-6,9-10,12H,2,7-8,11H2,1H3,(H,20,21)
InChIKeyLIBPEEYGKNFMOE-UHFFFAOYSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.70
LogP ≤ 54.99
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

N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 114306557
4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 114306518
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide
CID 107333565
N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide
CID 107706016
6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115354259
2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide
CID 114306423
methyl 2-bromo-3-[(6-bromonaphthalene-2-carbonyl)amino]propanoate
CID 103492380

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide (CID 115354549) is 6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide is CCC(CCCl)CNC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide?
The InChIKey is LIBPEEYGKNFMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-2-12(7-8-19)11-20-17(21)15-4-3-14-10-16(18)6-5-13(14)9-15/h3-6,9-10,12H,2,7-8,11H2,1H3,(H,20,21).
What are the key properties of 6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide?
6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide has a molecular weight of 368.70 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide is sourced from PubChem (CID 115354549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).