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

C17H20ClNO — CID 114306557

IUPACN-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
SMILESCCC(CCCl)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20ClNO/c1-2-13(9-10-18)12-19-17(20)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13H,2,9-10,12H2,1H3,(H,19,20)
InChIKeySHXVRAOTIYPHKV-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.22
Rot. Bonds6

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

N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide (PubChem CID 114306557) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
PubChem CID114306557
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
SMILESCCC(CCCl)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20ClNO/c1-2-13(9-10-18)12-19-17(20)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13H,2,9-10,12H2,1H3,(H,19,20)
InChIKeySHXVRAOTIYPHKV-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.22
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

6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 115354549
N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide
CID 107706016
4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 114306518
N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
CID 106288101
N-(3-hydroxypentyl)naphthalene-2-carboxamide
CID 115703584
N-(4-chloro-2-ethylbutyl)-2-methylbenzamide
CID 114306329
N-(4-chloro-2-ethylbutyl)-4-nitrobenzamide
CID 114306473
N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide
CID 114316931
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
CID 106117686
N-(4-chloro-2-ethylbutyl)-3-methoxy-4-nitrobenzamide
CID 104784809
N-(4-chloro-2-ethylbutyl)-2,3-dihydroxybenzamide
CID 114345290

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide (CID 114306557) is N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide is CCC(CCCl)CNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide?
The InChIKey is SHXVRAOTIYPHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-13(9-10-18)12-19-17(20)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13H,2,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide?
N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide has a molecular weight of 289.81 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide is sourced from PubChem (CID 114306557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).