N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide

C15H19ClFNO — CID 113294723

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC2(CCl)CCCC2)ccc1F
InChIInChI=1S/C15H19ClFNO/c1-11-8-12(4-5-13(11)17)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)
InChIKeyXCQWQCDPYRKUOR-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.66
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide

N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide (PubChem CID 113294723) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide
PubChem CID113294723
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC2(CCl)CCCC2)ccc1F
InChIInChI=1S/C15H19ClFNO/c1-11-8-12(4-5-13(11)17)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)
InChIKeyXCQWQCDPYRKUOR-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)cyclopropyl]methyl]-4-fluoro-3-methylbenzamide
CID 115455995
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
4-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 113397023
3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 115363928
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]-3-methylbenzamide
CID 111484729
4-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 115455941
4-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]-3-methylbenzamide
CID 111596850
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide
CID 113294793
4-fluoro-3-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80528467
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide
CID 103212632
3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267549
4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 113294779

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide (CID 113294723) is N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCC2(CCl)CCCC2)ccc1F.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide?
The InChIKey is XCQWQCDPYRKUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-11-8-12(4-5-13(11)17)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]-4-fluoro-3-methylbenzamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-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]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 113294723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).