6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide

C17H17BrClNO — CID 115354542

IUPAC6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1CCCC1Cl)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H17BrClNO/c18-15-7-6-11-8-13(5-4-12(11)9-15)17(21)20-10-14-2-1-3-16(14)19/h4-9,14,16H,1-3,10H2,(H,20,21)
InChIKeyPKSBFRZYGFHPQY-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.74
Rot. Bonds3

About 6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide

6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide (PubChem CID 115354542) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
PubChem CID115354542
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1CCCC1Cl)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H17BrClNO/c18-15-7-6-11-8-13(5-4-12(11)9-15)17(21)20-10-14-2-1-3-16(14)19/h4-9,14,16H,1-3,10H2,(H,20,21)
InChIKeyPKSBFRZYGFHPQY-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.74
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-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 115283344
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
CID 115353943
N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
CID 114303084
3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide
CID 114301502
6-bromo-N-(thian-4-ylmethyl)naphthalene-2-carboxamide
CID 115749078
3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647
N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide
CID 114303029
N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
CID 104672632
N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide
CID 114303164
4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276202

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide (CID 115354542) is 6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide is O=C(NCC1CCCC1Cl)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide?
The InChIKey is PKSBFRZYGFHPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c18-15-7-6-11-8-13(5-4-12(11)9-15)17(21)20-10-14-2-1-3-16(14)19/h4-9,14,16H,1-3,10H2,(H,20,21).
What are the key properties of 6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide?
6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide has a molecular weight of 366.69 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 115354542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).