N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide

C17H18ClNO — CID 106126364

IUPACN-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1CCC(Cl)C1)c1ccc2ccccc2c1
InChIInChI=1S/C17H18ClNO/c18-16-8-5-12(9-16)11-19-17(20)15-7-6-13-3-1-2-4-14(13)10-15/h1-4,6-7,10,12,16H,5,8-9,11H2,(H,19,20)
InChIKeyHOCIFWGVXOZBLW-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.98
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide

N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide (PubChem CID 106126364) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
PubChem CID106126364
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1CCC(Cl)C1)c1ccc2ccccc2c1
InChIInChI=1S/C17H18ClNO/c18-16-8-5-12(9-16)11-19-17(20)15-7-6-13-3-1-2-4-14(13)10-15/h1-4,6-7,10,12,16H,5,8-9,11H2,(H,19,20)
InChIKeyHOCIFWGVXOZBLW-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

N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
CID 106126223
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
3,5-dichloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 114147068
N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106126739
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide
CID 106126288
N-[(3-chlorocyclopentyl)methyl]-3-methyl-4-nitrobenzamide
CID 106126889
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
CID 106127191
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide (CID 106126364) is N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide is O=C(NCC1CCC(Cl)C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide?
The InChIKey is HOCIFWGVXOZBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-16-8-5-12(9-16)11-19-17(20)15-7-6-13-3-1-2-4-14(13)10-15/h1-4,6-7,10,12,16H,5,8-9,11H2,(H,19,20).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide?
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-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-2-carboxamide is sourced from PubChem (CID 106126364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).