N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide

C13H15ClFNO — CID 106127378

IUPACN-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
SMILESO=C(NCC1CCC(Cl)C1)c1ccc(F)cc1
InChIInChI=1S/C13H15ClFNO/c14-11-4-1-9(7-11)8-16-13(17)10-2-5-12(15)6-3-10/h2-3,5-6,9,11H,1,4,7-8H2,(H,16,17)
InChIKeyLRRVQQSZPMIMOS-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.96
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide

N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide (PubChem CID 106127378) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
PubChem CID106127378
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
SMILESO=C(NCC1CCC(Cl)C1)c1ccc(F)cc1
InChIInChI=1S/C13H15ClFNO/c14-11-4-1-9(7-11)8-16-13(17)10-2-5-12(15)6-3-10/h2-3,5-6,9,11H,1,4,7-8H2,(H,16,17)
InChIKeyLRRVQQSZPMIMOS-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.96
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-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106132319
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996
N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide
CID 71090797
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
3,5-dichloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 114147068
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
CID 106127191
N-[(4-chlorocyclohexyl)methyl]-4-methylsulfanylbenzamide
CID 106133906
N-[(3-chlorocyclopentyl)methyl]-4-fluoro-2-nitrobenzamide
CID 106127301
N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 106132053
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide (CID 106127378) is N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide is O=C(NCC1CCC(Cl)C1)c1ccc(F)cc1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide?
The InChIKey is LRRVQQSZPMIMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-11-4-1-9(7-11)8-16-13(17)10-2-5-12(15)6-3-10/h2-3,5-6,9,11H,1,4,7-8H2,(H,16,17).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide?
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide has a molecular weight of 255.72 g/mol, XLogP of 2.96, 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]-4-fluorobenzamide is sourced from PubChem (CID 106127378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).