N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide

C15H18ClF2NO — CID 82818931

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2CCCC2CCl)c1F
InChIInChI=1S/C15H18ClF2NO/c1-9-5-6-12(17)13(14(9)18)15(20)19-8-11-4-2-3-10(11)7-16/h5-6,10-11H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyCROGWVYCVCUSKN-UHFFFAOYSA-N
MW301.76 g/mol
LogP3.66
Rot. Bonds4

About N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide

N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide (PubChem CID 82818931) has the molecular formula C15H18ClF2NO and a molecular weight of 301.76 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide
PubChem CID82818931
Molecular FormulaC15H18ClF2NO
Molecular Weight301.76 g/mol
Exact Mass301.10
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2CCCC2CCl)c1F
InChIInChI=1S/C15H18ClF2NO/c1-9-5-6-12(17)13(14(9)18)15(20)19-8-11-4-2-3-10(11)7-16/h5-6,10-11H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyCROGWVYCVCUSKN-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
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

2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
CID 99855973
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114306984
N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 114306751
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide
CID 113273831
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide
CID 114307019
N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide
CID 82818366
3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 79773461
N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide
CID 82816392
N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide
CID 82816320
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 114307113
2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide
CID 114503969
N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide
CID 104643161

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide (CID 82818931) is N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)NCC2CCCC2CCl)c1F.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide?
The InChIKey is CROGWVYCVCUSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2NO/c1-9-5-6-12(17)13(14(9)18)15(20)19-8-11-4-2-3-10(11)7-16/h5-6,10-11H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide?
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide has a molecular weight of 301.76 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-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82818931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).