N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide

C18H20BrNO — CID 114317019

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCC1CCCC1CBr)c1cccc2ccccc12
InChIInChI=1S/C18H20BrNO/c19-11-14-7-3-8-15(14)12-20-18(21)17-10-4-6-13-5-1-2-9-16(13)17/h1-2,4-6,9-10,14-15H,3,7-8,11-12H2,(H,20,21)
InChIKeyHITPYFWSLLXVTQ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.38
Rot. Bonds4

About N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide

N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide (PubChem CID 114317019) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide
PubChem CID114317019
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCC1CCCC1CBr)c1cccc2ccccc12
InChIInChI=1S/C18H20BrNO/c19-11-14-7-3-8-15(14)12-20-18(21)17-10-4-6-13-5-1-2-9-16(13)17/h1-2,4-6,9-10,14-15H,3,7-8,11-12H2,(H,20,21)
InChIKeyHITPYFWSLLXVTQ-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.38
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-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 64928625
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
CID 114317422
N-[[2-(bromomethyl)cyclopentyl]methyl]isoquinoline-1-carboxamide
CID 114317088
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 114317339
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-methylbenzamide
CID 107100189
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-2-nitrobenzamide
CID 114317241
N-[[2-(bromomethyl)cyclopentyl]methyl]-2,3,4-trifluorobenzamide
CID 114317137
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276266
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
CID 106126223
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide (CID 114317019) is N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide is O=C(NCC1CCCC1CBr)c1cccc2ccccc12.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide?
The InChIKey is HITPYFWSLLXVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-11-14-7-3-8-15(14)12-20-18(21)17-10-4-6-13-5-1-2-9-16(13)17/h1-2,4-6,9-10,14-15H,3,7-8,11-12H2,(H,20,21).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide has a molecular weight of 346.27 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 114317019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).