N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide

C14H17F2NO — CID 154775614

IUPACN-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide
SMILESCC(=O)NCC1(c2c(F)cccc2F)CCCC1
InChIInChI=1S/C14H17F2NO/c1-10(18)17-9-14(7-2-3-8-14)13-11(15)5-4-6-12(13)16/h4-6H,2-3,7-9H2,1H3,(H,17,18)
InChIKeyVUQBJAQIBXPTHG-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.91
Rot. Bonds3

About N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide

N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide (PubChem CID 154775614) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide
PubChem CID154775614
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC NameN-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide
SMILESCC(=O)NCC1(c2c(F)cccc2F)CCCC1
InChIInChI=1S/C14H17F2NO/c1-10(18)17-9-14(7-2-3-8-14)13-11(15)5-4-6-12(13)16/h4-6H,2-3,7-9H2,1H3,(H,17,18)
InChIKeyVUQBJAQIBXPTHG-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119312905
1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea
CID 86875302
7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119765182
3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765192
N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide
CID 166236928
N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 131963721
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 99791597
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 110438323
1-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138367
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610870
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121178927

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide?
The IUPAC name of N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide (CID 154775614) is N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide is CC(=O)NCC1(c2c(F)cccc2F)CCCC1.
What is the InChIKey of N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide?
The InChIKey is VUQBJAQIBXPTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-10(18)17-9-14(7-2-3-8-14)13-11(15)5-4-6-12(13)16/h4-6H,2-3,7-9H2,1H3,(H,17,18).
What are the key properties of N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide?
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide has a molecular weight of 253.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 154775614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).