N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide

C18H22BrNO — CID 106288101

IUPACN-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22BrNO/c1-3-13(4-2)17(19)12-20-18(21)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyXJUBSYNAXFNBAI-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.77
Rot. Bonds6

About N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide

N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide (PubChem CID 106288101) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
PubChem CID106288101
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22BrNO/c1-3-13(4-2)17(19)12-20-18(21)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyXJUBSYNAXFNBAI-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.77
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

4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168864
4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide
CID 106288005
3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
CID 106288362
N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide
CID 106288438
N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide
CID 106288562
N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 114306557
N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide
CID 114316931
N-(2-bromo-3-ethylpentyl)-3-(trifluoromethyl)benzamide
CID 106288561
N-propylnaphthalene-2-carboxamide
CID 6624536
N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide
CID 106288527
N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
CID 106288554
N-(3-hydroxypentyl)naphthalene-2-carboxamide
CID 115703584

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide (CID 106288101) is N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide is CCC(CC)C(Br)CNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide?
The InChIKey is XJUBSYNAXFNBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-13(4-2)17(19)12-20-18(21)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17H,3-4,12H2,1-2H3,(H,20,21).
What are the key properties of N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide?
N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide has a molecular weight of 348.28 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide is sourced from PubChem (CID 106288101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).