N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide

C18H22ClNO — CID 106287250

IUPACN-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide
SMILESCCC(CC)C(Cl)CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H22ClNO/c1-3-13(4-2)17(19)12-20-18(21)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17H,3-4,12H2,1-2H3,(H,20,21)
InChIKeySVHFVNQEYYZGTC-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.61
Rot. Bonds6

About N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide

N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide (PubChem CID 106287250) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide
PubChem CID106287250
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide
SMILESCCC(CC)C(Cl)CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H22ClNO/c1-3-13(4-2)17(19)12-20-18(21)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17H,3-4,12H2,1-2H3,(H,20,21)
InChIKeySVHFVNQEYYZGTC-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.61
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

2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide
CID 106287681
N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide
CID 114168739
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid
CID 66165230
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]naphthalene-1-carboxamide
CID 8701456
N-(2-chloro-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 106287114
5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
CID 106287321
4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide
CID 106287678
N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106287553
N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide
CID 115456005
3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 103153230
N-dodecylnaphthalene-1-carboxamide
CID 4278758

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide (CID 106287250) is N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide is CCC(CC)C(Cl)CNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide?
The InChIKey is SVHFVNQEYYZGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-13(4-2)17(19)12-20-18(21)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17H,3-4,12H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide?
N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide has a molecular weight of 303.83 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide is sourced from PubChem (CID 106287250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).