N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide

C15H19ClFNO — CID 113294793

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCC1(CCl)CCCC1
InChIInChI=1S/C15H19ClFNO/c1-11-4-5-12(17)8-13(11)14(19)18-10-15(9-16)6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,18,19)
InChIKeyIWQRQFXNTNJCOH-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.66
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide

N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide (PubChem CID 113294793) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide
PubChem CID113294793
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCC1(CCl)CCCC1
InChIInChI=1S/C15H19ClFNO/c1-11-4-5-12(17)8-13(11)14(19)18-10-15(9-16)6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,18,19)
InChIKeyIWQRQFXNTNJCOH-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.66
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-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-nitrobenzamide
CID 115364005
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 115455960
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide
CID 113294723
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methyl-5-nitrobenzamide
CID 115456069
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide
CID 113294792
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3,4-trifluorobenzamide
CID 103969519
4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438299
5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide
CID 71998961
N-[[1-(chloromethyl)cyclopropyl]methyl]-4-fluoro-3-methylbenzamide
CID 115455995
5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 113294009
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide
CID 103969522

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide (CID 113294793) is N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NCC1(CCl)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide?
The InChIKey is IWQRQFXNTNJCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-11-4-5-12(17)8-13(11)14(19)18-10-15(9-16)6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,18,19).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide has a molecular weight of 283.77 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 113294793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).