N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide

C14H17ClFNO2 — CID 106366034

IUPACN-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCC2CCl)cc1F
InChIInChI=1S/C14H17ClFNO2/c1-19-13-6-5-9(7-11(13)16)14(18)17-12-4-2-3-10(12)8-15/h5-7,10,12H,2-4,8H2,1H3,(H,17,18)
InChIKeyWSHKDACILVPRAM-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide

N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide (PubChem CID 106366034) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
PubChem CID106366034
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCC2CCl)cc1F
InChIInChI=1S/C14H17ClFNO2/c1-19-13-6-5-9(7-11(13)16)14(18)17-12-4-2-3-10(12)8-15/h5-7,10,12H,2-4,8H2,1H3,(H,17,18)
InChIKeyWSHKDACILVPRAM-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 106366906
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide
CID 76978535
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide
CID 106366287
4-fluoro-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methoxybenzamide
CID 99776479
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114317199
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
CID 113254997
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide (CID 106366034) is N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCC2CCl)cc1F.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is WSHKDACILVPRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-19-13-6-5-9(7-11(13)16)14(18)17-12-4-2-3-10(12)8-15/h5-7,10,12H,2-4,8H2,1H3,(H,17,18).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide?
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 285.75 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 106366034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).