N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide

C14H17ClINO — CID 113273857

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide
SMILESO=C(NCC1CCCC1CCl)c1cccc(I)c1
InChIInChI=1S/C14H17ClINO/c15-8-11-4-1-5-12(11)9-17-14(18)10-3-2-6-13(16)7-10/h2-3,6-7,11-12H,1,4-5,8-9H2,(H,17,18)
InChIKeyYLJVZZSOHYATME-UHFFFAOYSA-N
MW377.65 g/mol
LogP3.68
Rot. Bonds4

About N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide

N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide (PubChem CID 113273857) has the molecular formula C14H17ClINO and a molecular weight of 377.65 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide
PubChem CID113273857
Molecular FormulaC14H17ClINO
Molecular Weight377.65 g/mol
Exact Mass377.00
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide
SMILESO=C(NCC1CCCC1CCl)c1cccc(I)c1
InChIInChI=1S/C14H17ClINO/c15-8-11-4-1-5-12(11)9-17-14(18)10-3-2-6-13(16)7-10/h2-3,6-7,11-12H,1,4-5,8-9H2,(H,17,18)
InChIKeyYLJVZZSOHYATME-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.65
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 114306751
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276266
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide
CID 106754219
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
N-[[2-(chloromethyl)cyclohexyl]methyl]-4-cyanobenzamide
CID 114306941
3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107725996
2,5-dichloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-3-carboxamide
CID 107966085
5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 114306808
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide
CID 113273831

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide (CID 113273857) is N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide is O=C(NCC1CCCC1CCl)c1cccc(I)c1.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide?
The InChIKey is YLJVZZSOHYATME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClINO/c15-8-11-4-1-5-12(11)9-17-14(18)10-3-2-6-13(16)7-10/h2-3,6-7,11-12H,1,4-5,8-9H2,(H,17,18).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide?
N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide has a molecular weight of 377.65 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide is sourced from PubChem (CID 113273857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).