2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone

C15H19F2NO — CID 63630556

IUPAC2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1F)CC1CCCC1
InChIInChI=1S/C15H19F2NO/c1-18(9-11-4-2-3-5-11)10-15(19)13-7-6-12(16)8-14(13)17/h6-8,11H,2-5,9-10H2,1H3
InChIKeyWTUJTTTXXIRPCZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.27
Rot. Bonds5

About 2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone

2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone (PubChem CID 63630556) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
PubChem CID63630556
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1F)CC1CCCC1
InChIInChI=1S/C15H19F2NO/c1-18(9-11-4-2-3-5-11)10-15(19)13-7-6-12(16)8-14(13)17/h6-8,11H,2-5,9-10H2,1H3
InChIKeyWTUJTTTXXIRPCZ-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61432500
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 60679763
1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797495
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494
N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61444129
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62036284
2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone
CID 64636932
2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 63631436
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
2-[cyclopentylmethyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
CID 63632491

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone (CID 63630556) is 2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone is CN(CC(=O)c1ccc(F)cc1F)CC1CCCC1.
What is the InChIKey of 2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone?
The InChIKey is WTUJTTTXXIRPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-18(9-11-4-2-3-5-11)10-15(19)13-7-6-12(16)8-14(13)17/h6-8,11H,2-5,9-10H2,1H3.
What are the key properties of 2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone?
2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone has a molecular weight of 267.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 63630556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).