N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide

C17H18ClNO — CID 106126223

IUPACN-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
SMILESO=C(NCC1CCC(Cl)C1)c1cccc2ccccc12
InChIInChI=1S/C17H18ClNO/c18-14-9-8-12(10-14)11-19-17(20)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11H2,(H,19,20)
InChIKeyNBOHTJZKDZIBMK-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.98
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide

N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide (PubChem CID 106126223) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
PubChem CID106126223
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
SMILESO=C(NCC1CCC(Cl)C1)c1cccc2ccccc12
InChIInChI=1S/C17H18ClNO/c18-14-9-8-12(10-14)11-19-17(20)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11H2,(H,19,20)
InChIKeyNBOHTJZKDZIBMK-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.98
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-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide
CID 114147037
N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide
CID 106127010
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106126739
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97272246
N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 64928625
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide (CID 106126223) is N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide is O=C(NCC1CCC(Cl)C1)c1cccc2ccccc12.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide?
The InChIKey is NBOHTJZKDZIBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-14-9-8-12(10-14)11-19-17(20)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11H2,(H,19,20).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide?
N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide has a molecular weight of 287.79 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 106126223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).